151115 -OEChem-10051722423D 54 59 0 1 0 0 0 0 0999 V2000 5.1767 3.6899 0.0306 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9054 -0.7564 0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1303 2.2894 0.7915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -3.3338 -0.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5432 1.2809 1.1332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 -1.5441 0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 1.2532 0.0532 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -3.0064 -1.3563 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -1.2092 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 -1.1774 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 -2.5195 0.0185 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2403 0.0295 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 -2.2817 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5351 0.0571 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 -2.3477 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 -0.1774 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 0.0859 0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4734 -1.1815 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 0.1838 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 1.2367 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4276 1.1528 -0.0232 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5153 -1.1401 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 0.6922 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -2.1229 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3039 1.3229 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9059 -1.6744 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7142 1.6261 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1692 2.4455 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5632 2.4978 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7026 0.5744 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 1.4274 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8519 2.6271 -1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 -3.2741 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 -2.8946 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 -2.9077 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 -3.2719 0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5557 -2.1664 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7769 -1.4075 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3843 -1.0635 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7412 1.7622 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1798 -1.9526 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9918 -2.5689 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 -2.3123 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 -3.1491 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9588 0.7825 -2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8251 2.1177 -1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 3.3825 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 0.7941 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1348 2.4474 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2143 1.1333 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 1.9744 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8168 2.1638 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6922 3.4656 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9384 3.0473 -2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 26 1 0 0 0 0 2 30 1 0 0 0 0 3 21 1 0 0 0 0 3 51 1 0 0 0 0 4 24 2 0 0 0 0 5 30 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 24 1 0 0 0 0 7 14 2 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 17 2 0 0 0 0 12 20 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 23 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 28 2 0 0 0 0 21 27 1 0 0 0 0 21 30 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 40 1 0 0 0 0 25 29 2 0 0 0 0 25 31 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 32 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END > DB12185 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZVYVPGLRVWUPMP-FYSMJZIKSA-N/SDF?record_type=3d > CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(F)C(C)=C4CC[C@H](N)C3=C14)C2=O > InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1 > ZVYVPGLRVWUPMP-FYSMJZIKSA-N > C24H22FN3O4 > 435.455 > 435.159434363 > 5 > 54 > 45.44812237017385 > 1 > 2 > 0 > 1 > (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaene-5,9-dione > 1.67 > 1.5463592409999998 > -3.29 > 0 > 6 > 1 > 11.71335536578462 > 9.52181112090293 > 105.75 > 115.80429999999998 > 1 > 1 > 2.21e-01 g/l > (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1(24),2(14),6(11),12,15,17,19-heptaene-5,9-dione > 0 $$$$