121365142 -OEChem-09152318183D 62 65 0 0 0 0 0 0 0999 V2000 -4.3793 1.7996 2.0985 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 -4.6497 -1.8791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 -2.0933 -1.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 0.4281 -0.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4836 4.2608 0.8512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2216 -2.5664 1.2471 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 -3.1786 0.0638 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 1.7369 -0.1729 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -1.0641 0.8905 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 0.7950 -1.2078 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -2.5740 2.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 -1.5806 1.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6747 -2.2305 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4334 0.2776 1.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 -2.9699 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -1.9828 1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5172 1.2788 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 -0.3855 2.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.8464 1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 0.5435 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 -0.9174 0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 -3.5033 -1.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 -1.8039 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -0.5833 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4283 1.2475 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 2.6623 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1042 0.7668 0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3108 1.7864 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 3.1360 -1.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 2.6797 -2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7575 1.8920 0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -5.1845 -3.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 3.1257 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 3.1954 -1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5366 2.0118 -1.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5654 5.4903 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7225 -3.6012 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 -2.4021 3.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 -1.4568 2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 2.1547 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4855 0.8158 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 -0.1647 3.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 -2.7757 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 1.4709 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 -1.1473 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 -2.7372 -2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -3.7904 -2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -0.8333 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5111 -0.5416 1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6259 -1.3090 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8468 2.9915 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0122 1.4338 -3.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 3.8608 -2.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 3.0792 -3.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -5.5063 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -4.4472 -3.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 -6.0551 -3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2828 4.1100 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8515 2.0110 -2.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 6.2885 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5925 5.7043 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 5.5119 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 22 1 0 0 0 0 2 32 1 0 0 0 0 3 23 2 0 0 0 0 4 25 2 0 0 0 0 5 33 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 15 2 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 48 1 0 0 0 0 10 27 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 51 1 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 M END > DB18305 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KGMPDQIYDKKXRD-UHFFFAOYSA-N/SDF?record_type=3d > COCC1=NN(CC2=CC=C(CN3C=CC=CC3=O)C=C2)C=C1C(=O)NCC1=NC=CC(OC)=C1F > InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) > KGMPDQIYDKKXRD-UHFFFAOYSA-N > C26H26FN5O4 > 491.523 > 491.1968825 > 6 > 62 > 2.5670645720761507 > 50.51629402226417 > 1 > 1 > 0 > 0 > N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxo-1,2-dihydropyridin-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide > 1.7222124973333328 > 1 > 0 > 4 > 0 > 12.914799444524274 > 3.3073419353547537 > 98.58000000000001 > 144.70369999999994 > 10 > 1 > N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide > 0 $$$$