2710 -OEChem-10051721593D 42 44 0 1 0 0 0 0 0999 V2000 -5.0231 -2.6546 0.5925 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.3774 -0.0107 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -1.8481 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 0.2580 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2687 -1.8155 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0818 0.2593 -0.6226 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7099 -0.4098 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 -2.4842 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 -0.4800 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 1.7390 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8969 -2.4844 0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 -1.4796 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 -0.1283 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 2.5956 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 2.1803 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 -2.1567 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -0.8053 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 3.9520 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 3.5367 1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5592 -1.8196 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1951 4.4226 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 1.3210 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5762 0.1874 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 -2.0053 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -2.3353 0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 0.2159 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 0.0627 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7036 -0.2293 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4065 -2.4386 1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -3.5440 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9343 -3.5483 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 -2.3953 1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -2.0366 0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0696 -1.7436 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6115 0.6352 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 2.2385 -2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 1.5157 1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 -2.9427 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6826 -0.5359 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 4.6417 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 3.9025 2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 5.4784 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 17 2 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 15 19 2 0 0 0 0 15 37 1 0 0 0 0 16 20 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > DB08936 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WFNAKBGANONZEQ-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 > InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3 > WFNAKBGANONZEQ-UHFFFAOYSA-N > C18H21ClN2 > 300.826 > 300.139326389 > 2 > 42 > 33.88614496099698 > 1 > 0 > 0 > 1 > 1-[(4-chlorophenyl)(phenyl)methyl]-4-methylpiperazine > 4.16 > 4.150047025666667 > -3.85 > 0 > 3 > 1 > 7.628581289773091 > 6.48 > 89.73840000000003 > 3 > 1 > 4.24e-02 g/l > chlorcyclizine > 1 $$$$