15991546 -OEChem-10051720543D 35 38 0 1 0 0 0 0 0999 V2000 -6.9496 -2.0871 0.2090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5038 0.5230 0.4411 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 2.2302 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 2.7498 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 0.7515 -0.5364 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 1.5136 0.1854 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 1.2835 -0.6376 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7285 1.1653 0.7145 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8268 0.4897 -1.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 -0.1192 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5264 -0.5069 -0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 -0.8758 1.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -1.6539 -1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 1.5443 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7683 -2.0404 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -2.4266 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 0.8425 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 -0.4828 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 -0.6065 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8639 0.5794 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 -1.6756 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 -1.1980 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 2.3286 -0.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 1.1347 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 1.1358 -2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 0.0090 -2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 -0.2491 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 -0.5755 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 -1.9490 -2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 3.0566 0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -2.6520 1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 -3.3332 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 -1.2598 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9822 2.5022 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -2.7090 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 30 1 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 27 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 M END > DB06986 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LRHOLHTVXXSIMG-BXUZGUMPSA-N/SDF?record_type=3d > [H][C@]1(CC2=C(C=CC=C2)[C@@]1([H])O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2 > InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1 > LRHOLHTVXXSIMG-BXUZGUMPSA-N > C16H13ClN2O2S > 332.805 > 332.038626067 > 2 > 35 > -0.0001121374621728854 > 33.878778695087696 > 1 > 3 > 0 > 1 > 2-chloro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide > 2.95 > 3.165905161 > -4.71 > 0 > 0 > 4 > 0 > 13.757495136059752 > 10.950935738819775 > -1.5016188123678549 > 65.12 > 84.547 > 2 > 1 > 6.46e-03 g/l > biotin > 0 $$$$