3245 -OEChem-10051722003D 60 62 0 1 0 0 0 0 0999 V2000 3.5563 1.5946 0.1613 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 -2.1678 0.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 -1.0719 0.2087 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.3188 -0.2231 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 -0.7192 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -0.3641 -1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0191 -1.0258 0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -0.6695 -1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 -0.7785 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 -0.6143 -0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 -1.6534 -0.2808 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7783 0.1972 0.3464 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4292 -3.1488 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2272 -0.0978 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1213 -1.3199 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6471 0.0625 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 0.6583 -0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 -1.1264 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 2.3421 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2327 0.3858 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -1.3986 0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1639 0.8490 -1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6223 0.5682 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7544 3.8122 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8987 -0.6426 -0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6555 2.1410 -1.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 1.8601 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6305 2.6465 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5508 0.3424 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -1.3044 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 0.7211 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 -0.6774 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 -2.1110 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 -0.7149 1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -0.0837 -2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 -1.7308 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 0.2923 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9072 -0.9969 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 -1.6899 -0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0249 -0.3165 -1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5897 -1.4702 -1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6029 -0.0591 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -3.4424 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 -3.7547 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4852 -3.4145 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 1.4551 -1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3818 -1.7239 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4718 2.0332 2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 2.1908 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7535 0.9719 -1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7476 -2.1999 0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 0.4848 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0074 -0.0280 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 4.1474 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 3.9922 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 4.4186 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9384 -0.8553 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 2.7526 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8725 2.2545 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0136 3.6524 -0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 15 2 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 29 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 18 21 2 0 0 0 0 18 47 1 0 0 0 0 19 24 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 25 2 0 0 0 0 20 50 1 0 0 0 0 21 25 1 0 0 0 0 21 51 1 0 0 0 0 22 26 1 0 0 0 0 22 52 1 0 0 0 0 23 27 2 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 2 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 M END > DB08990 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BSHWLCACYCVCJE-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(CN1CCN(CC(C)C(=O)C2=CC=CC=C2)CC1)C1=CC=CC=C1 > InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3 > BSHWLCACYCVCJE-UHFFFAOYSA-N > C24H32N2O2 > 380.532 > 380.246378278 > 4 > 60 > 44.38030944645915 > 1 > 0 > 0 > 1 > 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one > 3.78 > 4.1435830503333335 > -3.90 > 1 > 3 > 1 > 16.21440432186071 > 7.320028352381414 > 32.78 > 115.28869999999996 > 9 > 1 > 4.84e-02 g/l > eprazinone > 1 $$$$