11167527 -OEChem-06191310012D 66 69 0 1 0 0 0 0 0999 V2000 2.0000 1.0283 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0283 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2295 -3.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 -1.9662 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7429 -2.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5738 -0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0216 -2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1860 -1.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5513 -2.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3093 -2.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7445 -1.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6578 -0.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0754 -0.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2638 -0.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6931 -2.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4468 -2.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7688 -4.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.7817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 0.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -0.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -0.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 1.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 2.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 2.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 2.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 2.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 1.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 2.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 46 1 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 13 2 0 0 0 0 6 18 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 18 47 1 0 0 0 0 20 25 1 0 0 0 0 20 26 2 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 26 57 1 0 0 0 0 27 33 1 0 0 0 0 27 58 1 0 0 0 0 28 32 2 0 0 0 0 28 59 1 0 0 0 0 29 34 1 0 0 0 0 29 60 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 34 2 0 0 0 0 31 64 1 0 0 0 0 32 35 1 0 0 0 0 33 35 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > 11167527 > 1 > 712 > 6 > 1 > 6 > AAADceB7MYAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwAACAAADijhmg4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhshgLYyCeYmMKPgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 2-(3,5-difluorophenyl)-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(o-tolyl)-3-pyridyl]-N,2-dimethyl-propanamide > 2-(3,5-difluorophenyl)-N-[6-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide > 2-(3,5-difluorophenyl)-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyridin-3-yl]-N,2-dimethylpropanamide > 2-[3,5-bis(fluoranyl)phenyl]-N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)pyridin-3-yl]-N,2-dimethyl-propanamide > 2-(3,5-difluorophenyl)-N,2-dimethyl-N-[6-(2-methylolpyrrolidino)-4-(o-tolyl)-3-pyridyl]propionamide > InChI=1S/C28H31F2N3O2/c1-18-8-5-6-10-23(18)24-15-26(33-11-7-9-22(33)17-34)31-16-25(24)32(4)27(35)28(2,3)19-12-20(29)14-21(30)13-19/h5-6,8,10,12-16,22,34H,7,9,11,17H2,1-4H3 > GOVNDFJUFIEMKB-UHFFFAOYSA-N > 5.3 > 479.238434 > C28H31F2N3O2 > 479.561446 > CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)F)F)N4CCCC4CO > CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)F)F)N4CCCC4CO > 56.7 > 479.238434 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 13 14 8 14 15 8 15 17 8 17 18 8 20 25 8 20 26 8 21 27 8 21 28 8 25 29 8 26 31 8 27 33 8 28 32 8 29 34 8 31 34 8 32 35 8 33 35 8 6 13 8 6 18 8 8 12 3 $$$$