16040289 -OEChem-10051720573D 50 53 0 0 0 0 0 0 0999 V2000 4.7031 -1.4112 0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -1.5792 -1.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3004 0.3857 -0.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 -1.9269 0.4703 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2004 -1.0278 0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 5.0465 0.1966 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0738 1.5471 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0613 -1.9771 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8693 -0.9095 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 2.7746 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 -1.7977 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 -1.8148 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5968 -3.2414 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.9430 1.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -1.5231 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 -1.5390 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -1.8136 1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 -1.3937 -0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0321 3.4847 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 3.1835 1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9626 -3.4035 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7137 -2.2750 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -0.3497 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 4.6084 -0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 4.3208 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 0.9066 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4499 -0.5733 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3271 1.9756 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0497 0.4957 -1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4883 1.7701 -1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8816 1.6724 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 1.4496 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 0.4189 0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 -2.1227 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 -4.1052 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 -2.1567 2.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -1.4022 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0747 -1.9269 2.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 -1.2029 -1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 3.1836 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 2.6431 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 -4.3819 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7832 -2.3476 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 5.2045 -1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 4.6891 2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 1.0972 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 -1.5649 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8932 2.9691 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9539 0.3359 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 2.6028 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 34 1 0 0 0 0 5 9 1 0 0 0 0 5 22 2 0 0 0 0 6 24 2 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 10 19 2 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 13 21 2 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 24 1 0 0 0 0 19 40 1 0 0 0 0 20 25 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB07183 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CPVRYQAOUPSUDO-UHFFFAOYSA-N/SDF?record_type=3d > O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=C(NCC2=CC=NC=C2)N=CC=C1 > InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29) > CPVRYQAOUPSUDO-UHFFFAOYSA-N > C24H20N4O2 > 396.4412 > 396.158625904 > 4 > 50 > 0.030924605370331166 > 41.92462825253336 > 1 > 2 > 0 > 1 > N-(4-phenoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide > 4.02 > 4.571781725333334 > -5.04 > 1 > 0 > 4 > 0 > 19.588942446501772 > 15.16505485822054 > 5.405378925337129 > 76.14 > 118.6384 > 7 > 1 > 3.64e-03 g/l > biotin > 0 $$$$