4988454 -OEChem-10051722523D 67 71 0 0 0 0 0 0 0999 V2000 -2.0552 1.8748 0.9191 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 0.2055 -0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 0.6833 0.0371 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -0.9186 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9985 1.3071 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 -0.4812 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 1.7889 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8392 -0.2299 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.8403 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8721 0.8873 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 -1.4808 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -0.3491 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9485 0.0105 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 1.1603 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8889 -1.1899 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8103 1.8706 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 -1.3423 -1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8404 0.8838 1.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -2.7168 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 2.8944 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -2.4893 -1.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 1.9077 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -3.8637 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 1.9890 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 -1.1953 1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 1.3337 -1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6342 -2.2298 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7461 2.9128 0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3338 -3.7500 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9706 3.0412 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8234 -2.2931 1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5758 2.3859 -2.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4948 -3.3275 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5309 3.2396 -1.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5894 -3.3592 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.3374 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 -1.7164 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 2.1839 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 0.9738 1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 -1.3291 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 -0.1882 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 2.2279 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 2.5694 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 -0.4958 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 -0.6980 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1391 -1.1512 0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.3560 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 1.8724 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4535 -0.3855 -1.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 0.1046 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -2.8215 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 3.6737 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3097 -2.4016 -2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5577 1.9216 2.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2481 -4.8453 0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7966 1.8557 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -0.3796 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 0.6826 -1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 -2.2383 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4845 3.7091 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -4.6430 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7123 3.7076 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6741 -2.3192 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2387 2.5373 -3.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3159 -4.1558 -0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 4.0583 -2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2597 -4.2138 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 44 1 0 0 0 0 9 12 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 11 17 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 14 24 2 0 0 0 0 14 26 1 0 0 0 0 15 25 2 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 17 21 1 0 0 0 0 17 49 1 0 0 0 0 18 22 2 0 0 0 0 18 50 1 0 0 0 0 19 23 2 0 0 0 0 19 51 1 0 0 0 0 20 28 2 0 0 0 0 20 52 1 0 0 0 0 21 29 2 0 0 0 0 21 53 1 0 0 0 0 22 28 1 0 0 0 0 22 54 1 0 0 0 0 23 29 1 0 0 0 0 23 55 1 0 0 0 0 24 30 1 0 0 0 0 24 56 1 0 0 0 0 25 31 1 0 0 0 0 25 57 1 0 0 0 0 26 32 2 0 0 0 0 26 58 1 0 0 0 0 27 33 2 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 30 34 2 0 0 0 0 30 62 1 0 0 0 0 31 35 2 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 32 64 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > DB12743 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VCPMZDWBEWTGNW-UHFFFAOYSA-N/SDF?record_type=3d > O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2 > VCPMZDWBEWTGNW-UHFFFAOYSA-N > C32H32N2O > 460.621 > 460.251463658 > 2 > 67 > 53.44228834306192 > 1 > 0 > 0 > 0 > 1-[4-(diphenylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one > 5.34 > 6.472628240666667 > -6.29 > 1 > 5 > 1 > 7.296521885957388 > 23.550000000000004 > 143.1713 > 7 > 0 > 2.37e-04 g/l > 1-[4-(diphenylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one > 1 $$$$