78320408 -OEChem-07301813323D 70 73 0 1 0 0 0 0 0999 V2000 7.7559 2.2144 -1.0870 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1863 3.2672 0.0120 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2237 3.2258 0.7863 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 0.4548 -2.6254 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9287 -1.0230 -0.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6784 2.4376 -0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 0.4258 0.2297 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2311 -1.6918 -0.5459 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 -0.6118 -1.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4218 2.7165 0.4795 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 -1.3518 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -2.1558 -0.7650 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5697 0.1418 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 -1.8514 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -0.9863 0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 0.9411 0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8021 -3.6575 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.1635 -1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 -1.7410 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 1.2316 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -1.2245 0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -0.8643 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8797 -0.9920 -2.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 2.4931 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9902 -2.1987 1.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 -1.1605 1.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9088 -0.2898 -1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 -2.1254 2.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 -1.6147 2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4212 -0.1329 -1.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2141 0.6242 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3286 0.2007 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6927 1.9969 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0231 1.0270 0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5604 2.2514 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2147 3.1709 2.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -1.9840 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4405 -1.4548 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 -1.9923 -1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5846 0.5465 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 0.2960 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -1.8482 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -2.8810 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 -1.1072 1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0985 -1.3574 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 1.9803 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 0.9067 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -3.8991 0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -4.0603 -0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -4.2065 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 1.4694 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9275 0.6787 0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 -0.2161 -2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -1.9273 -3.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0754 -0.7121 -3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9721 -2.6147 2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 -0.7432 1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -2.4743 3.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8885 -1.5623 3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 -1.3038 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 0.4781 -2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 -1.0178 -2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9199 0.6382 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0995 3.6483 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 4.1024 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5246 3.4157 2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1099 2.7237 2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6105 -1.7062 1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3383 -2.1394 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9165 -2.9355 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 27 2 0 0 0 0 5 32 1 0 0 0 0 5 37 1 0 0 0 0 6 33 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 27 1 0 0 0 0 9 30 1 0 0 0 0 9 60 1 0 0 0 0 10 33 1 0 0 0 0 10 35 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 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 17 50 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 25 2 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M END > DB14581 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HPODOLXTMDHLLC-QGZVFWFLSA-N/SDF?record_type=3d > COC1=C(CNC(=O)C2=C(C)N([C@H](C)C3CCN(CC(F)(F)F)CC3)C3=CC=CC=C23)C(=O)NC(C)=C1 > InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1 > HPODOLXTMDHLLC-QGZVFWFLSA-N > C27H33F3N4O3 > 518.581 > 518.250475428 > 4 > 70 > 53.15108262395985 > 1 > 2 > 0 > 0 > N-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-indole-3-carboxamide > 4.31 > 2.9947445313333345 > -4.84 > 1 > 4 > 0 > 15.455866487195912 > 11.153680294182363 > 3.4597506421112167 > 75.60000000000001 > 139.68239999999997 > 8 > 0 > 7.41e-03 g/l > N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide > 0 $$$$