Mrv0541 04191212152D 92 98 0 0 0 0 999 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 7.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1728 7.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9933 7.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3289 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 6.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 6.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 7.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1728 7.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9933 7.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 6.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 6.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 2 2 0 0 0 0 3 2 1 0 0 0 0 15 4 2 0 0 0 0 5 3 1 0 0 0 0 5 4 1 0 0 0 0 16 5 2 0 0 0 0 4 6 1 0 0 0 0 6 1 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 58 9 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 11 10 1 0 0 0 0 17 11 2 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 23 18 1 0 0 0 0 22 18 2 0 0 0 0 20 19 2 0 0 0 0 24 23 1 1 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 51 25 2 0 0 0 0 25 52 1 0 0 0 0 26 49 1 6 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 48 28 2 0 0 0 0 43 28 1 0 0 0 0 29 53 1 0 0 0 0 30 29 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 31 34 1 1 0 0 0 35 31 1 0 0 0 0 33 32 1 0 0 0 0 47 35 2 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 39 2 0 0 0 0 41 39 1 0 0 0 0 42 41 1 0 0 0 0 43 41 1 0 0 0 0 43 44 1 6 0 0 0 45 44 1 0 0 0 0 46 44 1 0 0 0 0 50 53 2 0 0 0 0 54 52 1 0 0 0 0 53 54 1 0 0 0 0 54 56 1 1 0 0 0 56 55 1 0 0 0 0 56 57 1 0 0 0 0 59 58 1 6 0 0 0 60 59 1 0 0 0 0 61 59 1 0 0 0 0 86 60 2 0 0 0 0 60 87 1 0 0 0 0 61 84 1 1 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 83 63 2 0 0 0 0 78 63 1 0 0 0 0 64 88 1 0 0 0 0 65 64 1 0 0 0 0 66 64 1 0 0 0 0 67 65 1 0 0 0 0 68 66 1 0 0 0 0 66 69 1 6 0 0 0 70 66 1 0 0 0 0 68 67 1 0 0 0 0 82 70 2 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 71 1 0 0 0 0 74 72 1 0 0 0 0 75 74 2 0 0 0 0 76 74 1 0 0 0 0 77 76 1 0 0 0 0 78 76 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 0 0 0 0 81 79 1 0 0 0 0 85 88 2 0 0 0 0 89 87 1 0 0 0 0 88 89 1 0 0 0 0 89 91 1 6 0 0 0 91 90 1 0 0 0 0 91 92 1 0 0 0 0 M END > DB00970 > drugbank > [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C > InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1 > RJURFGZVJUQBHK-IIXSONLDSA-N > C62H86N12O16 > 1255.417 > 1254.628474764 > 16 > 176 > -0.00045793903815073765 > 129.23731945646648 > 0 > 5 > 0 > 0 > N1,N9-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide > 2.76 > -0.09688245333333306 > -4.80 > 1 > 0 > 7 > 0 > 11.098483446600403 > 10.51691637715153 > -1.088153173363003 > 355.53999999999996 > 326.17160000000007 > 8 > 0 > 2.00e-02 g/l > tetrahydrofolic acid > 0 > DB00970 > APRD00124 > approved; investigational > Dactinomycin > 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; 3H-PHENOXAZINE-1,9-DICARBOXAMIDE, 2-AMINO-N,N'-BIS(HEXADECAHYDRO-6,13-DIISOPROPYL-2,5,9-TRIMETHYL-1,4,7,11,14-PENTAOXO-1H-PYRROLO(2,1-I)(1,4,7,10,13)OXATETRAAZACYCLOHEXADECIN-10-YL)-4,6-DIMETHYL-3-OXO-; ActD; Actinomycin C1; Actinomycin D; ACTINOMYCIN I1; Actinomycin IV; ACTINOMYCIN X1; ACTINOMYCIN-D; ANA-conjugated dactinomycin nanoemulsion; Dactinomicina; Dactinomycin; Dactinomycine; Dactinomycinum; DILACTONE ACTINOMYCIN D ACID; Meractinomycin; N,N'-((2-AMINO-4,6-DIMETHYL-3-OXO-3H-PHENOXAZINE-1,9-DIYL)-BIS(CARBONYLIMINO(2-HYDROXYPROPYLIDENE)CARBONYLIMINOISOBUTYLIDENECARBONYL-1,2-PYRROLIDINEDIYLCARBONYL(METHYLIMINO)METHYLENECARBONYL))BIS(N-METHYL-L-VALINE) DILACTONE; ONCOSTATIN K > Cosmegen; Dactinomycin > Lyovac Cosmegen $$$$