60187717 -OEChem-04232409482D 73 76 0 1 0 0 0 0 0999 V2000 8.0102 -2.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.5547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -1.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -1.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0228 -0.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 1.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 1.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -1.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 -2.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 -1.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 -1.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6168 -2.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3039 2.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4570 2.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4570 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3039 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 60 1 0 0 0 0 2 17 2 0 0 0 0 3 23 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 14 1 0 0 0 0 6 16 2 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 2 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 23 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 29 2 0 0 0 0 27 58 1 0 0 0 0 28 32 1 0 0 0 0 28 59 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 2 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 2 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 M END > 60187717 > 1 > 781 > 5 > 2 > 6 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgBwAAAHgAQCAAADCjhngYzgJPIEgCoAyVyVACCgCAnAiAImKG4ZNiIcPLA1bGUYQhulgLIyYeY2fOOgAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > (3S)-3-(2-hydroxyethyl)-N-isopropyl-6-(4-methylpiperazine-1-carbonyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide > (3S)-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-N-propan-2-yl-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide > (3S)-3-(2-hydroxyethyl)-6-(4-methylpiperazine-1-carbonyl)-N-propan-2-yl-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide > (3S)-3-(2-hydroxyethyl)-6-(4-methylpiperazine-1-carbonyl)-N-propan-2-yl-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide > (3S)-3-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)carbonyl-N-propan-2-yl-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide > (3S)-3-(2-hydroxyethyl)-N-isopropyl-6-(4-methylpiperazine-1-carbonyl)-4-[3-[(E)-prop-1-enyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide > InChI=1S/C28H37N5O3/c1-5-7-20-8-6-9-21(16-20)26-25-22(18-33(24(25)10-15-34)28(36)29-19(2)3)17-23(30-26)27(35)32-13-11-31(4)12-14-32/h5-9,16-17,19,24,34H,10-15,18H2,1-4H3,(H,29,36)/b7-5+/t24-/m0/s1 > CFNPGODJTHCJBL-COIATFDQSA-N > 2.3 > 491.28964006 > C28H37N5O3 > 491.6 > CC=CC1=CC(=CC=C1)C2=C3C(N(CC3=CC(=N2)C(=O)N4CCN(CC4)C)C(=O)NC(C)C)CCO > C/C=C/C1=CC(=CC=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)N4CCN(CC4)C)C(=O)NC(C)C)CCO > 89 > 491.28964006 > 0 > 36 > 1 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 14 8 12 15 8 15 16 8 24 27 8 24 28 8 27 29 8 28 32 8 29 33 8 32 33 8 6 14 8 6 16 8 9 13 5 $$$$