53262401 -OEChem-05201910393D 57 62 0 0 0 0 0 0 0999 V2000 2.2337 -4.8054 -0.8352 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 1.0952 0.1267 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 3.2664 0.2876 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 0.1695 0.0551 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 3.7958 -0.7112 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 4.0235 -1.7486 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 -3.7514 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -3.7444 -0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 -4.3236 1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 -4.8700 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -2.4412 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3649 -1.4563 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 -2.2476 0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -0.2778 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.0691 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 -0.0841 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 1.1828 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 2.3709 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 2.5395 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 2.6842 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 2.9322 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 0.6003 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 1.9241 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5049 3.4871 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 2.1648 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5081 -0.4602 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 2.4599 1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4234 -0.4856 -1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5379 -1.4575 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 3.2728 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3686 -1.5084 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 -2.4805 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3984 -2.5059 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -2.8242 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -4.0037 -1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -5.0763 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 -3.5615 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -4.8231 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 -5.8843 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -4.5917 -1.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -5.0441 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -1.5944 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 -3.0073 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 0.4691 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 -0.9337 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2722 3.9749 0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9989 2.1911 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 1.5408 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6945 2.0688 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 0.2786 -1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8348 -1.4528 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6168 3.5333 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9113 3.4884 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 4.6106 -2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0804 -1.5292 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5068 -3.2569 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1342 -3.3024 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 18 2 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 22 2 0 0 0 0 5 24 1 0 0 0 0 5 30 2 0 0 0 0 6 24 1 0 0 0 0 6 53 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 43 1 0 0 0 0 14 16 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 49 1 0 0 0 0 28 31 1 0 0 0 0 28 50 1 0 0 0 0 29 32 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END > DB14982 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HNFMVVHMKGFCMB-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC=CC=C1C1=NC2=CC=C(N=C2N1C1=CC=C(C=C1)C1(N)CCC1)C1=CC=CC=C1 > InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30) > HNFMVVHMKGFCMB-UHFFFAOYSA-N > C27H24N6 > 432.531 > 432.206244797 > 5 > 57 > 48.65966861630798 > 1 > 2 > 0 > 0 > 3-{3-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}pyridin-2-amine > 4.66 > 4.856303578666666 > -5.14 > 0 > 6 > 1 > 9.651114610391186 > 95.64 > 150.65579999999994 > 4 > 1 > 3.13e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$