71636 -OEChem-10061700303D 62 65 0 1 0 0 0 0 0999 V2000 -4.6036 2.4934 1.7569 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -0.7363 1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 -1.1078 2.0895 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1484 -1.1897 1.1736 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 -1.9636 2.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 0.0755 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -2.3724 1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1517 -0.3322 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.7177 3.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1945 -1.5808 0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 0.0716 2.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -0.3863 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 -0.2990 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 -0.0530 0.5922 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3108 0.6229 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8313 1.2877 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -0.9382 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8659 0.8167 -2.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 -1.3775 -2.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9844 1.7386 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 1.8355 -1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3673 2.4696 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 1.2812 -0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2077 -0.7858 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0653 -1.8784 -1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 3.6835 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 2.4951 -1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7319 -1.6009 -1.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -2.6933 -2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 3.6962 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9229 -2.5545 -2.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9233 -2.8751 3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -1.4528 3.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 0.7193 2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 0.6789 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 -3.0133 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -2.9705 2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 0.5965 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 -0.8477 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.1324 3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0934 -1.6253 3.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9438 -2.1982 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -2.2113 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 0.2840 3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 1.0364 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1236 0.0507 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 0.5626 1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 0.9086 -3.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 -1.4470 -2.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2005 -2.3429 -2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -1.1788 -3.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 2.5303 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 2.7039 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 0.3637 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8455 -0.0452 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 -2.0044 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 4.6283 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 2.5051 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7699 -1.4924 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9596 -3.4353 -2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 4.6413 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3309 -3.1888 -3.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 8 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 15 20 1 0 0 0 0 15 47 1 0 0 0 0 16 22 1 0 0 0 0 16 23 2 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 23 54 1 0 0 0 0 24 28 1 0 0 0 0 24 55 1 0 0 0 0 25 29 2 0 0 0 0 25 56 1 0 0 0 0 26 30 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 29 31 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > DB13788 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VEVSKUJZSMGTMM-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC=C1CN1CCN(CCOC(C2=CC=CC=C2)C2=CC=CC=C2Cl)CC1 > InChI=1S/C27H31ClN2O/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3 > VEVSKUJZSMGTMM-UHFFFAOYSA-N > C27H31ClN2O > 435.01 > 434.2124913 > 3 > 62 > 48.988596461535124 > 1 > 0 > 0 > 0 > 1-{2-[(2-chlorophenyl)(phenyl)methoxy]ethyl}-4-[(2-methylphenyl)methyl]piperazine > 5.50 > 6.340966024 > -5.82 > 1 > 4 > 1 > 7.928924968246509 > 15.71 > 130.43569999999994 > 8 > 0 > 6.52e-04 g/l > chlorbenzoxamine > 1 $$$$