9957280 -OEChem-10112213323D 74 78 0 1 0 0 0 0 0999 V2000 4.6462 5.1542 -1.4017 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -1.1873 0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2591 -3.0863 -0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2447 -2.3316 -0.3262 N 0 0 1 0 0 0 0 0 0 0 0 0 -6.1994 -1.1096 0.3043 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -0.0052 -1.2806 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -0.6859 0.0331 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7587 0.6939 0.6445 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4550 -0.5465 -1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 -1.7337 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 0.6632 2.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 1.8762 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 0.4145 -1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0077 -2.8335 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4072 1.7375 -1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2124 -3.1841 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1922 -1.9231 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2043 -1.3315 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -2.3982 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.5019 2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 0.5716 2.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 3.1624 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1211 2.8493 -1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 4.2629 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 4.1046 -0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 -1.9179 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 -3.6344 -0.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -2.9198 -0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9268 -2.4934 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3975 -1.1619 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4535 0.2173 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7562 0.8859 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2103 0.8702 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8055 2.2894 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2484 2.2669 1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5593 2.9658 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 0.9419 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -0.1010 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6519 -1.4753 -2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -2.1509 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 -2.6333 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3588 1.5807 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 -0.0197 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 0.5718 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -3.4270 1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 -3.9979 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -3.0859 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -0.9831 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8011 -1.8905 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -0.3835 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -1.2244 -1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -0.5880 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -0.2799 3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5344 -1.4383 2.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9736 1.1130 2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 1.0191 3.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -0.4535 2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6928 3.3363 1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 2.7398 -2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 5.2424 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -1.8130 -2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -0.9342 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5621 -4.4193 -0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 -4.0436 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -3.6012 -1.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 -3.9128 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7339 -3.0245 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8086 -2.4237 -2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6906 -3.2579 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5489 -1.8897 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7442 0.3255 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2735 2.8416 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8257 2.8182 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6079 4.0515 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 70 1 0 0 0 0 6 30 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 37 1 0 0 0 0 9 13 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 18 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 42 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 45 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 2 0 0 0 0 22 58 1 0 0 0 0 23 25 2 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 34 36 1 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 M END > DB17037 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VHHVPDKNKPNKHY-JDXGNMNLSA-N/SDF?record_type=3d > CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2 > InChI=1S/C30H38FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33)/t28-,30-/m0/s1 > VHHVPDKNKPNKHY-JDXGNMNLSA-N > C30H38FN3O2 > 491.651 > 491.294805639 > 3 > 74 > 1.0649969562925168 > 56.515870228737214 > 0 > 1 > 0 > 0 > (1S,2S)-2-(2-{[3-(1H-1,3-benzodiazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl cyclopropanecarboxylate > 6.09 > 6.110910320666667 > -5.92 > 1 > 1 > 5 > 1 > 12.543807892386603 > 9.82490121767639 > 58.220000000000006 > 140.67659999999998 > 11 > 0 > 5.88e-04 g/l > 6-cyclopropaneamido-N-[hydroxy(2H2)methyl]-4-{[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]amino}pyridazine-3-carboxamide > 0 $$$$