122077 -OEChem-10051720433D 42 45 0 0 0 0 0 0 0999 V2000 4.7503 0.1713 -2.5222 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 -3.0532 -0.2755 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 0.9106 0.2579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 4.0622 -0.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 2.6832 1.3721 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0793 0.4944 -0.3709 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -1.3799 -0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2789 -0.5063 0.1008 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3544 -0.0100 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2389 -1.2921 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1642 -0.4219 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8514 -1.5383 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 1.8049 -0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5887 0.5646 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4111 -2.0391 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 -0.2170 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7376 -0.1949 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6527 -1.4770 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 2.8563 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 -1.4786 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5525 -1.0382 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7177 -0.2136 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6285 -2.4010 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 0.3836 -0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2337 -0.0103 1.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.1778 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 0.7841 1.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 1.3780 0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -2.4400 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 2.0769 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 1.7536 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 1.5631 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3593 -3.0395 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7125 0.2226 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5602 -2.0483 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 -2.2699 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -3.0323 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7642 -0.4640 2.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 4.7709 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9694 1.6485 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7643 0.9403 2.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 1.9965 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 19 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 36 1 0 0 0 0 8 20 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END > DB04867 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ILNRQFBVVQUOLP-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CN1C(=CC2=CC=CC=C12)C(=O)NC1=NC(=CS1)C1=CC=CC=C1Cl > InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27) > ILNRQFBVVQUOLP-UHFFFAOYSA-N > C20H14ClN3O3S > 411.861 > 411.044439726 > 4 > 42 > -0.9984477873756616 > 39.74943627650593 > 1 > 2 > 0 > 1 > 2-(2-{[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}-1H-indol-1-yl)acetic acid > 4.27 > 4.765716261666666 > -4.68 > 0 > -1 > 4 > -1 > 11.990986011664004 > 4.194479417244992 > -1.2212289053004866 > 84.22 > 107.78750000000001 > 5 > 1 > 8.56e-03 g/l > tetrahydrofolic acid > 0 $$$$