9892540 -OEChem-01271919513D 57 60 0 0 0 0 0 0 0999 V2000 6.9192 -3.0215 -1.3630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 3.2529 0.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6381 -2.8995 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 2.0637 -0.4834 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 0.7129 -0.1275 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1204 1.2448 0.3754 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2855 0.6895 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 2.7980 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 2.7428 -1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3477 -0.0503 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 2.1283 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2891 2.0191 -1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 1.9114 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1651 -0.1884 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7846 0.0247 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3953 -0.8442 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6322 -0.0417 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5677 1.2725 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2841 2.0242 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0097 -0.9671 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 -2.2453 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.0399 -0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5715 0.3762 1.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -2.3625 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3016 -3.0014 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4045 -1.7251 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7509 -0.3089 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 -1.3594 0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0066 -3.2060 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 0.6895 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 0.0937 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 2.8629 -1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 3.8241 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3193 2.8300 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 3.7633 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 -1.0433 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -0.2017 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 2.2212 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4162 2.6613 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2729 1.0416 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0178 2.5972 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 2.9319 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 1.4502 1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 0.1377 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5376 -0.5730 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6241 1.1087 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 1.9021 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.5365 0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6425 -1.3234 -1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 1.1809 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3464 -4.0869 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 -2.9496 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3437 -0.0266 2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0885 -1.8847 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -2.2979 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2879 -3.9030 -1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9903 -3.6830 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 19 2 0 0 0 0 3 21 1 0 0 0 0 3 29 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 20 24 2 0 0 0 0 20 48 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END > DB05422 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TZZGTNZBLPCBIS-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC2=C1CCC(=O)N2CCCN1CCN(CC1)C1=CC=CC(Cl)=C1 > InChI=1S/C23H28ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-8,17H,4,9-16H2,1H3 > TZZGTNZBLPCBIS-UHFFFAOYSA-N > C23H28ClN3O2 > 413.95 > 413.1870049 > 4 > 57 > 46.15480202398334 > 1 > 0 > 0 > 1 > 1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-methoxy-1,2,3,4-tetrahydroquinolin-2-one > 3.99 > 3.6439023806666655 > -4.15 > 1 > 4 > 1 > 7.66659741133609 > 36.019999999999996 > 118.00289999999997 > 6 > 1 > 2.96e-02 g/l > 1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-methoxy-3,4-dihydroquinolin-2-one hydrochloride > 1 $$$$