11338033 -OEChem-10051721153D 42 44 0 0 0 0 0 0 0999 V2000 -3.6026 -0.3063 2.6446 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 0.4111 -2.7650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 1.1059 0.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 -2.0991 -0.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.9991 -0.6116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 0.0503 0.4055 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -2.3797 -0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2863 -0.6672 -0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0077 -3.4472 -0.2675 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 1.2585 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 1.9111 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 0.9855 1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 1.1537 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2263 0.2738 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7264 0.0622 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -1.2425 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -1.5267 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -2.9198 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6491 -0.9843 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 0.1642 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0579 0.5254 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9617 0.8434 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9357 1.6040 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 1.9221 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3263 2.3024 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 1.9557 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 2.9388 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3624 1.9826 -1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 0.3894 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 1.9421 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9952 0.1721 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6335 1.7119 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 0.2030 1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -0.7536 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2556 0.4915 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 -0.8118 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7935 -2.5363 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 -3.5868 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 0.3107 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3245 1.9138 2.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 2.4772 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0098 3.1424 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 35 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 37 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 39 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END > DB08142 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OVPNQJVDAFNBDN-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1 > InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) > OVPNQJVDAFNBDN-UHFFFAOYSA-N > C16H17Cl2N5O2 > 382.244 > 381.075930227 > 4 > 42 > 0.9987914402130064 > 37.093047532229406 > 1 > 4 > 0 > 1 > 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide > 2.23 > 1.9606353868492268 > -4.16 > 0 > 1 > 3 > 1 > 14.731811009903389 > 10.797023099530248 > 9.985825167461071 > 98.91 > 98.648 > 4 > 1 > 2.67e-02 g/l > biotin > 0 $$$$