448008 -OEChem-10051719423D 35 37 0 0 0 0 0 0 0999 V2000 -1.3740 -3.3877 -1.7513 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5247 0.4380 1.4630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 -1.5657 -0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 2.9762 -0.5544 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 -0.3013 -2.1921 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4779 1.3293 -1.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 1.9738 0.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 0.7476 -0.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -0.1541 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 1.1776 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 -1.1625 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.4540 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.7824 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 1.6077 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5144 -1.7270 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 -1.5600 1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 1.3439 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 1.5073 1.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 0.9814 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 -2.6889 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 -2.5218 1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9998 1.1448 2.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9111 0.8819 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 -3.0864 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4292 0.7174 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 2.9695 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 0.8576 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6894 -1.4177 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 -1.1294 2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 1.4273 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 1.7100 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 1.0711 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1123 -2.8304 2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 -3.8343 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 -0.4726 -2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 25 1 0 0 0 0 5 35 1 0 0 0 0 6 25 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 27 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 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 20 24 2 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 24 34 1 0 0 0 0 M END > DB01793 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ONVZFCHLOZUXRP-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=CC(NC2=C(C(=O)NC2=O)C2=CC(Cl)=CC=C2)=CC=C1Cl > InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23) > ONVZFCHLOZUXRP-UHFFFAOYSA-N > C17H10Cl2N2O4 > 377.178 > 376.001762232 > 5 > 35 > -1.0012132818397153 > 35.189915777410775 > 1 > 3 > 0 > 1 > 2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid > 3.43 > 2.8135013473333332 > -5.25 > 0 > -1 > 3 > -1 > 9.757570838029574 > 3.725504630410787 > -5.296126255629418 > 95.50000000000001 > 94.62719999999999 > 4 > 1 > 2.14e-03 g/l > biotin > 0 $$$$