11016947 -OEChem-08092309022D 62 68 0 1 0 0 0 0 0999 V2000 11.1960 2.4171 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.0295 -0.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8424 -2.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4126 -3.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4852 -0.3491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7909 -2.4136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9506 -1.3786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 -0.7895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4852 1.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4314 0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9016 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4314 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2974 1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2974 -0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1635 0.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1635 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2814 2.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0735 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4590 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1794 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 -2.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0815 2.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6455 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0579 -2.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9012 -1.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1074 -2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -2.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -1.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9227 1.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4407 0.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4407 0.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7884 2.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1951 2.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2974 -1.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7409 2.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6068 1.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5260 -0.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1009 -2.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1770 3.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6196 2.8120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0295 -1.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5176 -0.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1858 -3.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6459 -3.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8228 -0.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 -0.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -2.9394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 0.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -2.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 0.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -1.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 2 52 1 0 0 0 0 3 17 2 0 0 0 0 4 32 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 6 49 1 0 0 0 0 7 29 1 0 0 0 0 7 32 1 0 0 0 0 7 56 1 0 0 0 0 8 31 1 0 0 0 0 8 33 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 1 0 0 0 9 40 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 2 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 20 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 20 22 2 0 0 0 0 21 26 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 33 34 1 0 0 0 0 33 36 2 0 0 0 0 34 35 1 0 0 0 0 34 37 2 0 0 0 0 35 58 1 0 0 0 0 36 38 1 0 0 0 0 36 59 1 0 0 0 0 37 39 1 0 0 0 0 37 60 1 0 0 0 0 38 39 2 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 M END > 11016947 > 1 > 936 > 3 > 4 > 4 > AAADceB7sAAEAAAAAAAAAAAAAAAAAWLFgAAwYMGAAAAAAFjB/gAAHgIQCAAADQ/BnkQwxvPJkgCoAyVyVACCgCAnIiAImSG+btgIZvLDlbOUcQhm1hnI2YeY2fOeqACDQgAaAABQAQaEADQAAAAAAAAAAA== > N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide > N-[2-[[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-oxomethyl]-1H-indol-5-yl]-1H-indole-2-carboxamide > N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide > N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide > N-[2-[[(1S)-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide > N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenz[e]indole-3-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide > InChI=1S/C31H23ClN4O3/c32-15-19-16-36(27-14-28(37)21-6-2-3-7-22(21)29(19)27)31(39)26-13-18-11-20(9-10-24(18)35-26)33-30(38)25-12-17-5-1-4-8-23(17)34-25/h1-14,19,34-35,37H,15-16H2,(H,33,38)/t19-/m1/s1 > OMTPLEBPJORDFA-LJQANCHMSA-N > 6 > 534.1458683 > C31H23ClN4O3 > 535.0 > C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6N5)C=C(C7=CC=CC=C72)O)CCl > C1[C@H](C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6N5)C=C(C7=CC=CC=C72)O)CCl > 101 > 534.1458683 > 0 > 39 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 13 8 12 15 8 13 16 8 13 19 8 15 18 8 16 18 8 16 21 8 19 23 8 20 22 8 21 26 8 22 24 8 23 26 8 24 25 8 24 27 8 25 28 8 27 29 8 28 30 8 29 30 8 31 35 8 33 34 8 33 36 8 34 35 8 34 37 8 36 38 8 37 39 8 38 39 8 6 20 8 6 25 8 8 31 8 8 33 8 9 14 5 $$$$