46926973 -OEChem-10051722483D 50 53 0 0 0 0 0 0 0999 V2000 -0.4613 1.1062 -1.8517 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 0.9550 -1.2138 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 1.8598 0.1323 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9941 -1.6989 0.1253 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5662 1.4417 1.1536 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 -1.9132 -0.5141 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7234 -0.7539 0.6954 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 1.8524 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 0.5932 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 0.4445 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 2.6348 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 1.3119 0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5832 -0.2865 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 1.6474 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 0.0140 2.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 1.7727 -0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6015 -1.6521 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 0.3736 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8218 -2.3063 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7179 1.2169 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 -0.3712 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1314 -0.0556 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.3832 -0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -0.2614 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 -3.7720 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 0.7978 1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4181 -0.7104 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5230 -0.1411 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6744 -2.5260 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7792 -1.9566 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 3.2070 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8696 3.3874 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 1.4523 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 2.0428 -2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1453 0.2384 3.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8493 0.4286 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9805 -1.0762 2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6903 -2.1928 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7952 1.4381 0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 2.4542 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8886 0.0964 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 0.1758 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 -0.9110 -1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 -4.3189 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 -4.1473 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5185 -3.9839 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3857 0.9982 1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 0.8319 1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7200 -3.4923 -0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7434 -2.4497 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 10 2 0 0 0 0 2 14 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 3 40 1 0 0 0 0 4 19 2 0 0 0 0 4 21 1 0 0 0 0 5 20 2 0 0 0 0 5 26 1 0 0 0 0 6 27 2 0 0 0 0 6 29 1 0 0 0 0 7 28 2 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB12561 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XXYGTCZJJLTAGH-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(=CC=N1)C1=NC=C(CC(=O)NC2=CC=C(C=N2)C2=CN=CC=N2)C=C1C > InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30) > XXYGTCZJJLTAGH-UHFFFAOYSA-N > C23H20N6O > 396.454 > 396.169859288 > 6 > 50 > 43.47364274933754 > 1 > 1 > 0 > 1 > 2-{2',3-dimethyl-[2,4'-bipyridine]-5-yl}-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide > 2.12 > 2.2623343316666675 > -4.56 > 0 > 4 > 0 > 11.94312934392008 > 5.092468345183575 > 93.55000000000001 > 114.33299999999997 > 5 > 1 > 1.08e-02 g/l > 2-{2',3-dimethyl-[2,4'-bipyridine]-5-yl}-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide > 0 $$$$