133017 -OEChem-10051722293D 56 60 0 0 0 0 0 0 0999 V2000 6.4355 3.4067 0.0340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 1.3407 -0.1091 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -2.4084 1.4842 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3984 -0.2030 -1.5403 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 0.2821 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 -0.5415 0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 1.7665 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 -0.1068 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 2.1127 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 -0.2596 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 1.7234 -1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 0.6219 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 -1.7338 0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 0.3756 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -0.7925 -1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 -1.5618 -1.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -2.3622 -0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 1.0087 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 1.7292 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9787 1.2538 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 -3.7594 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 2.5872 1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 2.3505 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 0.9043 0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2332 0.4514 -1.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7439 -4.4737 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2936 -3.7577 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1347 0.2382 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8199 -0.2927 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6601 0.1001 2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -1.6167 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 -0.3953 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 2.1024 1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 2.3936 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 -0.3846 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7656 -0.6984 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 3.1849 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 1.9349 -1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 1.5320 -2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 2.8000 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 -0.4049 -2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6945 -1.4916 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8487 -2.2378 -2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -0.8864 -2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 1.9019 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7722 1.0662 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -4.2996 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 3.4203 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3848 1.3416 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9218 0.5077 -2.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 -5.5577 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -4.2665 2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7571 -0.8251 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7462 -0.0413 2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1969 -0.7595 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4521 0.9999 2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 3 27 2 0 0 0 0 4 25 1 0 0 0 0 4 29 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 18 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 18 24 1 0 0 0 0 18 25 2 0 0 0 0 19 22 2 0 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 24 28 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END > DB11614 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WUZYKBABMWJHDL-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1 > InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3 > WUZYKBABMWJHDL-UHFFFAOYSA-N > C26H26ClN3 > 415.97 > 415.1815255 > 3 > 56 > 46.97841400252276 > 1 > 0 > 0 > 0 > 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene > 4.82 > 5.371807958333333 > -4.88 > 0 > 5 > 1 > 7.188831095123943 > 29.020000000000003 > 133.83039999999997 > 2 > 0 > 5.44e-03 g/l > 13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene > 1 $$$$