null CDK 0224162322 null 37 40 0 0 0 0 0 0 0 0999 V2000 -0.9962 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 S 0 0 2 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 -3.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 -5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2201 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2201 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -5.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -6.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.9521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 14 15 1 0 0 0 0 15 7 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 11 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 M END > CHEBI:102505 > (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > 2 > C29H35N3O4S > 521.673 > 521.23483 > 0 > CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)OC)C(=O)N(C)C > InChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)14-15-33)21-9-7-8-20(16-21)19-10-12-23(36-6)13-11-19/h7-13,16-17,25,33H,14-15,18H2,1-6H3/t25-,37-/m0/s1 > QYSQYMZBXYWZNF-RSUXDYMJSA-N > LSM-13854 $$$$