108144 -OEChem-10051722383D 39 41 0 0 0 0 0 0 0999 V2000 1.4687 -1.1390 2.8253 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 -1.8704 -2.5668 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4876 4.0947 -0.3207 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.3053 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2638 2.3973 1.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 -0.8939 -0.3757 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 -0.4953 -1.6264 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 0.6527 -1.5423 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7621 -0.2552 1.8749 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 2.9941 -0.7202 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -2.1479 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 -1.9298 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 -1.5267 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 -1.6665 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -1.9893 -1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 -0.0488 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.4625 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -1.7854 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 -1.3085 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 0.9401 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 0.0087 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 1.1257 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 0.1553 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1159 2.1125 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3916 2.3892 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 1.4186 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 2.5356 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9029 -2.8233 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 -2.6178 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 -1.6315 2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -2.1944 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1399 0.4047 2.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3285 -1.0781 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 1.0575 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -0.6988 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 3.2509 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6619 1.5180 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 2.8192 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1006 3.8438 -0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 27 1 0 0 0 0 4 19 2 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 8 20 1 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 24 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 20 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 34 1 0 0 0 0 23 26 2 0 0 0 0 23 35 1 0 0 0 0 25 27 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 M END > DB11960 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WNRZHQBJSXRYJK-UHFFFAOYSA-N/SDF?record_type=3d > NC(=O)C1=C(N)N(CC2=CC(Cl)=C(C(=O)C3=CC=C(Cl)C=C3)C(Cl)=C2)N=N1 > InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27) > WNRZHQBJSXRYJK-UHFFFAOYSA-N > C17H12Cl3N5O2 > 424.67 > 423.0056577 > 5 > 39 > 39.188047897663125 > 1 > 2 > 0 > 1 > 5-amino-1-{[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide > 3.71 > 4.163045890666667 > -5.13 > 0 > 3 > 0 > 13.134454825820413 > 0.6893164002186679 > 116.88999999999999 > 115.58099999999997 > 5 > 1 > 3.18e-03 g/l > carboxyamidotriazole > 0 $$$$