3947 -OEChem-10061700213D 57 60 0 1 0 0 0 0 0999 V2000 -8.3737 0.7588 1.4181 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 -1.0006 -1.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6652 -0.0620 -0.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 1.0171 -1.0932 N 0 0 1 0 0 0 0 0 0 0 0 0 2.1675 0.5596 -1.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 0.6009 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -1.3439 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 -0.5145 2.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 -0.7544 1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 1.9237 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 0.3835 1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -1.7169 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 1.8944 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5488 1.5104 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -2.2887 -1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 1.0371 1.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 -2.9905 1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 0.9143 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6343 2.1608 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 -3.5521 -1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9377 1.9195 1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 -3.9030 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 1.5014 -2.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -0.0570 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1877 0.1476 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3797 0.7249 1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2286 -0.2499 -0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6855 0.9154 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5343 -0.0593 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7629 0.5234 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 0.6299 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 -0.0376 -2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 -1.4666 2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 -0.0510 3.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2678 0.1742 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3211 -1.1840 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2261 2.3773 -2.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 2.6281 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.5849 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 2.9206 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4084 1.7209 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -2.0634 -2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 0.8595 2.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7994 -3.2792 2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 1.9000 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 0.5128 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2453 2.8410 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -4.2602 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7838 2.4105 1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.8842 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 0.9105 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 2.5413 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 1.4379 -3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 1.0215 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0649 -0.6994 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8487 1.3670 2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3642 -0.3683 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 24 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 11 1 0 0 0 0 6 14 2 0 0 0 0 7 12 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 21 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 18 24 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 M END > DB13411 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SAPNXPWPAUFAJU-UHFFFAOYSA-N/SDF?record_type=3d > CN(CCCN1C2=CC=CC=C2CCC2=CC=CC=C12)CC(=O)C1=CC=C(Cl)C=C1 > InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3 > SAPNXPWPAUFAJU-UHFFFAOYSA-N > C26H27ClN2O > 418.97 > 418.1811912 > 3 > 57 > 46.65971197786423 > 1 > 0 > 0 > 0 > 2-[(3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)(methyl)amino]-1-(4-chlorophenyl)ethan-1-one > 5.79 > 6.114835828 > -5.70 > 1 > 4 > 0 > 17.02323073746386 > 6.53055477092998 > 23.55 > 125.31209999999996 > 7 > 0 > 8.38e-04 g/l > 2-[(3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)(methyl)amino]-1-(4-chlorophenyl)ethanone > 1 $$$$