Ketcher 11041510532D 1 1.00000 0.00000 0 44 49 0 1 0 999 V2000 10.0746 -19.1588 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3341 -22.1532 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9401 -20.6623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.6374 -17.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0785 -21.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1370 -16.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2900 -14.5086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5637 -20.1776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4819 -22.4699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4462 -16.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3004 -15.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6387 -15.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8262 -16.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1331 -16.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0893 -13.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4694 -13.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7710 -12.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7699 -12.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6405 -17.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0562 -18.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0548 -18.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3707 -19.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7504 -19.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4619 -17.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3247 -19.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7997 -19.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4844 -20.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5358 -21.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5342 -22.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0774 -21.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6690 -20.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8003 -21.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6659 -22.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7987 -22.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0715 -21.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2043 -20.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2059 -19.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 -21.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 -19.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4687 -20.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4703 -19.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4423 -19.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4437 -19.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3148 -16.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 2 38 1 0 0 0 3 32 1 0 0 0 3 35 1 0 0 0 4 19 2 0 0 0 5 30 2 0 0 0 6 10 1 0 0 0 6 14 1 0 0 0 6 19 1 0 0 0 7 11 1 0 0 0 7 15 1 0 0 0 7 16 1 0 0 0 8 22 1 0 0 0 8 23 1 0 0 0 9 29 1 0 0 0 9 30 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 2 0 0 0 21 23 2 0 0 0 21 24 1 0 0 0 22 25 1 0 0 0 23 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 27 30 1 0 0 0 28 29 2 0 0 0 28 31 1 0 0 0 29 33 1 0 0 0 31 32 2 0 0 0 32 34 1 0 0 0 33 34 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 2 0 0 0 39 41 2 0 0 0 40 41 1 0 0 0 42 3 2 0 0 0 43 3 2 0 0 0 10 44 1 1 0 0 M END > CHEBI:90197 > PHA-665752 > A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrrol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer). > 3 > PHA665752; PHA 665752 > (3Z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one > C32H34Cl2N4O4S > 641.610 > 640.16778 > 0 > ClC1=C(CS(C2=CC=3\C(=C\C=4NC(=C(C(=O)N5[C@@](CN6CCCC6)(CCC5)[H])C4C)C)\C(=O)NC3C=C2)(=O)=O)C(Cl)=CC=C1 > InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1 > OYONTEXKYJZFHA-SSHUPFPWSA-N > 477575-56-7 > 14491744 > 477575-56-7 > PFY > 15788682; 16461907; 17440059; 18327775; 18413809; 19939254; 20736805; 21400509; 23649759; 24802404; 26277884 $$$$