76958276 -OEChem-10051722423D 62 65 0 1 0 0 0 0 0999 V2000 6.5301 2.1120 1.3584 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8837 -4.6566 0.1001 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 0.6482 -1.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6621 1.5446 -0.0055 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 1.8838 -0.1322 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 0.9361 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 1.3107 1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 1.5913 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 1.5908 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7917 1.2039 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 0.8990 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 -0.5857 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 1.3226 -0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0497 1.1868 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 -1.2693 -0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0094 -1.2775 1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 1.7169 -1.0848 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6113 -2.6445 -0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 -2.6526 1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 2.6774 1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 0.9870 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 -3.3360 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 3.0635 -1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 -0.4152 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 1.7642 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 -1.0379 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2017 -1.2132 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 1.1519 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 -0.2400 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 -2.4401 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 -2.6050 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -3.2173 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7564 1.3756 -1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 2.3965 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4867 0.8518 2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 2.6857 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0075 1.2439 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 2.6770 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9196 0.1517 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1154 1.7765 -2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 1.2122 2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2864 -0.1935 1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4014 1.7082 -1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7072 1.4965 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1765 0.1092 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 -0.7891 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7732 -0.7734 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 1.1493 -1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -3.1753 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 -3.1919 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 2.0984 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 2.9484 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6867 3.6194 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 3.8330 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1953 2.9388 -2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5334 3.4927 -2.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 2.8479 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3215 -0.8073 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2227 -0.7115 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2609 -2.9404 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -3.2112 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 -4.3009 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 22 1 0 0 0 0 3 13 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 16 19 2 0 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > DB12219 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DRXBWLBZWAJIEF-IBGZPJMESA-N/SDF?record_type=3d > C[C@H](N(C)C(=O)CC1(CCN(C)CC1)C1=CC=C(F)C=C1)C1=C2C=CC=CC2=CC(Cl)=C1 > InChI=1S/C27H30ClFN2O/c1-19(25-17-22(28)16-20-6-4-5-7-24(20)25)31(3)26(32)18-27(12-14-30(2)15-13-27)21-8-10-23(29)11-9-21/h4-11,16-17,19H,12-15,18H2,1-3H3/t19-/m0/s1 > DRXBWLBZWAJIEF-IBGZPJMESA-N > C27H30ClFN2O > 453.0 > 452.2030695 > 2 > 62 > 48.63413992211076 > 1 > 0 > 0 > 1 > N-[(1S)-1-(3-chloronaphthalen-1-yl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide > 5.81 > 5.403413715333334 > -6.14 > 0 > 4 > 1 > 8.537722434275423 > 23.550000000000004 > 129.63359999999994 > 5 > 0 > 3.31e-04 g/l > N-[(1S)-1-(3-chloronaphthalen-1-yl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide > 1 $$$$