71245288 -OEChem-05201910343D 57 61 0 0 0 0 0 0 0999 V2000 -2.2705 -4.6348 -0.4062 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 -3.8292 0.7198 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9559 2.4028 0.8599 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8794 0.6163 0.0973 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6018 1.6615 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -1.7125 -0.0563 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 -0.6627 -0.3004 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 0.5004 -1.5092 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1255 1.8094 -1.5713 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 4.1948 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 4.7918 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 5.2663 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0922 2.7650 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 1.6736 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8035 1.1026 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -0.7059 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4118 -1.6976 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -1.0399 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 -2.3657 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 -3.0233 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8536 -1.3740 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -3.3574 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 2.0353 1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3372 -2.7106 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 0.4319 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 2.5462 2.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 3.0642 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 -0.7468 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4615 2.4892 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 -1.7513 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -1.8625 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -2.9143 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -2.9627 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5758 4.4773 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 5.4579 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7063 4.2120 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 4.9964 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 6.2510 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6689 1.5677 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3221 0.4801 1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -0.2572 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7035 -3.8085 -0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3584 -2.1843 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9755 -0.4793 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3761 -1.2427 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 1.1466 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 4.0115 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 3.2758 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 2.6921 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 3.4739 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 1.8052 2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 2.7458 3.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 -0.8412 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5653 3.5441 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 -1.8922 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 -3.8038 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4362 -3.8555 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 24 2 0 0 0 0 3 13 1 0 0 0 0 3 15 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 5 29 1 0 0 0 0 6 24 1 0 0 0 0 6 30 1 0 0 0 0 6 53 1 0 0 0 0 7 28 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 25 2 0 0 0 0 9 29 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 46 1 0 0 0 0 25 28 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 31 1 0 0 0 0 29 54 1 0 0 0 0 30 32 2 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 > DB14916 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YIDDLAAKOYYGJG-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)N1C=NN=C1C1=CC=CC(NC(=O)C2=CC(N3C=NC(=C3)C3CC3)=C(C)C=C2F)=N1 > InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) > YIDDLAAKOYYGJG-UHFFFAOYSA-N > C24H24FN7O > 445.502 > 445.202636584 > 5 > 57 > 45.85372296943408 > 1 > 1 > 0 > 0 > 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide > 3.55 > 4.101127869999999 > -4.04 > 1 > 5 > 0 > 13.8581445865121 > 5.750767147640402 > 90.52000000000001 > 146.90949999999998 > 6 > 1 > 4.05e-02 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 $$$$