9832383 -OEChem-10051722383D 58 60 0 1 0 0 0 0 0999 V2000 7.1007 -2.6441 0.9545 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7522 -3.3002 -1.0431 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.4171 -2.2552 -0.1267 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6801 -1.6250 -2.0730 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 3.2455 1.5633 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 3.1936 -0.1494 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3231 2.5577 1.8016 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 0.3214 1.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.6106 -0.7477 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 2.9679 -2.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1851 -0.7984 0.0691 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2711 1.2284 -0.5318 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7556 2.0027 -1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 0.8971 -2.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 2.3850 -2.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 0.1984 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 0.0639 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 -1.1019 1.1216 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3434 0.5352 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 -1.0933 -0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -0.6398 0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0946 -1.6368 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 -2.5888 1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2866 -0.4259 1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 1.9151 1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 -2.0544 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 0.6647 1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 -1.5320 0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 -1.7208 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8241 1.0906 0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3204 -1.1062 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7141 0.2051 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 -2.0529 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2453 2.4927 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1128 1.9396 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6845 2.5406 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 1.3166 -2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 0.2918 -2.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 0.6505 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 2.9501 -1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 2.5367 -3.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 3.4225 -3.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -0.5673 2.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 -1.3805 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 -2.7974 2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 -3.2870 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -2.8675 1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 -1.3966 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -1.5175 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1043 -2.6975 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0987 -0.1836 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 2.1442 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3648 2.0206 1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5367 2.6649 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0933 -3.0614 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 1.3479 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 -2.5486 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7149 0.5371 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 6 34 1 0 0 0 0 7 34 1 0 0 0 0 8 17 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 42 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 43 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 2 0 0 0 0 20 44 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 2 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 30 32 2 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 58 1 0 0 0 0 M END > DB11949 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SBBYBXSFWOLDDG-JLTOFOAXSA-N/SDF?record_type=3d > C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F > InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1 > SBBYBXSFWOLDDG-JLTOFOAXSA-N > C23H24F7N3O > 491.454 > 491.180759546 > 2 > 58 > 43.02605815566778 > 1 > 1 > 0 > 0 > (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide > 4.03 > 5.332050661 > -5.05 > 0 > 3 > 1 > 7.448371191589982 > 35.580000000000005 > 114.00400000000003 > 5 > 0 > 4.34e-03 g/l > vestipitant > 1 $$$$