10364585 -OEChem-10051720543D 51 55 0 0 0 0 0 0 0999 V2000 1.2796 3.8401 0.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 2.7110 0.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9841 2.2214 0.3748 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 -5.8308 1.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -0.7413 1.7977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8726 -1.2654 -0.5981 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 3.6324 0.4244 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 0.8184 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 -0.4747 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 0.7724 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 -0.5405 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 1.7741 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 1.4384 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 -2.6770 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.1667 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -0.8200 -0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7762 -3.5935 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 1.7104 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2661 3.1965 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 -0.9571 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 2.6388 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 -0.1792 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0028 1.3095 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -0.0065 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6843 -5.0716 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -0.6209 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -0.0676 -1.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0603 -0.9498 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9347 -0.3965 -1.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6712 -0.8376 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9773 -1.2001 2.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 -2.9069 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9857 -2.8542 -1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 -1.8394 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -3.3211 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -3.4305 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 2.7421 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -1.9825 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 4.5887 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -0.3062 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 -5.3885 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 -5.2890 -0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 0.2751 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6976 -1.2991 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4105 -0.3088 -2.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5747 3.0841 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7202 -1.0933 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -5.5639 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 -2.2206 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7946 -0.4997 3.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 -1.2349 3.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 21 2 0 0 0 0 3 23 1 0 0 0 0 3 46 1 0 0 0 0 4 25 1 0 0 0 0 4 48 1 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 34 1 0 0 0 0 17 25 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 20 24 2 0 0 0 0 20 38 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 47 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M END > DB07006 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AOGOZJCRIFBTTN-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC=C1C1=CC2=C(C3=C(C=CC(O)=C3)N2CCCO)C2=C1C(=O)NC2=O > InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30) > AOGOZJCRIFBTTN-UHFFFAOYSA-N > C24H20N2O5 > 416.426 > 416.13722176 > 5 > 51 > -0.07719038868218714 > 44.0747574143504 > 1 > 3 > 0 > 1 > 9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)-1H,2H,3H,6H-pyrrolo[3,4-c]carbazole-1,3-dione > 3.24 > 2.5905854790000005 > -4.34 > 0 > 0 > 5 > 0 > 9.421806588119301 > 8.103705167574322 > -2.39502556196983 > 100.79 > 116.36369999999997 > 5 > 1 > 1.90e-02 g/l > biotin > 0 $$$$