Mrv1652309061622432D 85 85 0 0 0 0 999 V2000 0.6944 1.3360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0196 0.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 2.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7337 1.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 1.3360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 2.5716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0196 2.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 0.9229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7337 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 0.9229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4085 3.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 1.3360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 1.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 3.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8757 0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 0.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 -0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 4.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 1.3360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8757 0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 0.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9787 1.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 5.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 0.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9787 -0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1303 0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 2.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 -1.5421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6928 0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 -2.1102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4939 -1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 3.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0178 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 -2.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9854 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 -2.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7123 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7123 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4264 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -2.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 -4.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4263 -2.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5701 -2.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2843 -4.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1404 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8557 -2.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 -3.3459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1405 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4263 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8561 -3.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5701 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 -2.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8722 -4.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -2.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 -3.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 -2.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -5.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -4.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -3.3459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1420 -2.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -2.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4281 -4.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 -2.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -4.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4479 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -2.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -0.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7148 -2.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 6 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 7 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 1 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 6 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 20 26 1 0 0 0 0 20 27 2 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 1 0 0 0 28 33 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 38 2 0 0 0 0 34 39 1 0 0 0 0 34 40 2 0 0 0 0 36 41 1 0 0 0 0 36 42 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 39 45 1 0 0 0 0 39 46 1 1 0 0 0 43 47 1 0 0 0 0 43 48 1 1 0 0 0 45 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 47 53 2 0 0 0 0 48 54 1 0 0 0 0 49 55 1 0 0 0 0 49 56 2 0 0 0 0 51 57 1 0 0 0 0 51 58 1 0 0 0 0 52 59 1 0 0 0 0 54 60 1 0 0 0 0 54 61 1 0 0 0 0 55 62 1 0 0 0 0 55 63 1 1 0 0 0 59 64 1 0 0 0 0 59 65 1 1 0 0 0 62 66 1 0 0 0 0 64 67 1 0 0 0 0 64 68 2 0 0 0 0 65 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 66 72 2 0 0 0 0 67 73 1 0 0 0 0 67 74 1 0 0 0 0 71 75 1 0 0 0 0 71 76 1 1 0 0 0 73 77 1 0 0 0 0 77 78 2 0 0 0 0 75 77 1 0 0 0 0 11 79 1 6 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 73 82 1 6 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 34 31 1 0 0 0 0 33 37 1 0 0 0 0 M END > DB00091 > drugbank > CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C > InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 > PMATZTZNYRCHOR-CGLBZJNRSA-N > C62H111N11O12 > 1202.635 > 1201.841368058 > 12 > 196 > 133.60132638203973 > 0 > 5 > 0 > 0 > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone > 3.638157327333332 > 0 > 1 > 0 > 12.234112317341314 > 11.825701333808036 > -2.3937129676327564 > 278.79999999999995 > 327.1417 > 15 > 0 > (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone > 0 > DB00091 > BTD00003; BIOD00003 > approved; investigational; vet_approved > Cyclosporine > Ciclosporin; Ciclosporina; Ciclosporine; Ciclosporinum; CsA; CyA; Cyclosporin; Cyclosporin A; Cyclosporine > Apo-cyclosporine Oral Solution; Aqua-stasis; Cequa; Cyclo-derm; CycloSPORINE; CycloSPORINE, Modfied; Cyclosporine; Cyclosporine A; Cyclosporine Modified; Cyclosporine/Chondroitin PF; Cyclosporine/Chondroitin Sulfate PF; Gengraf; Hydro-stasis; Ikervis; Nail Cyclosporin-A; Neoral; PMS-cyclosporine; Restasis; Restasis MultiDose; Sandimmune; Sandimmune Cap 50mg; Sandimmune I.V.; Sandimmune Oral Sol 100mg/ml; Sandimmune Soft Gelatin Cap 100mg; Sandimmune Soft Gelatine Cap 25mg; Sandoz Cyclosporine; Teva-cyclosporine; Verkazia; Vevye > Sangcya; Verkazia $$$$