11500273 -OEChem-10051720533D 37 39 0 0 0 0 0 0 0999 V2000 7.0245 -0.2462 0.3322 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4268 1.1669 -0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 1.1387 1.4295 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1482 -0.9486 -0.0308 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3174 -0.9588 0.3817 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 0.4635 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 0.4436 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 -0.9483 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 -0.2552 -0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9783 2.4154 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 2.0755 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 -0.2532 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 -0.9351 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1185 -0.9627 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 0.8000 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1671 -1.3044 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 -0.9421 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7211 0.8023 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -1.3023 0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3231 -0.2489 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.0409 1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 1.4744 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 -1.5193 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 -1.5092 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 0.2263 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7762 -1.2986 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 2.8152 -1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1522 3.1172 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 2.9474 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 1.6260 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1931 -0.9219 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9056 -0.9762 1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 1.6241 -1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 -2.1281 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -0.9351 -1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 1.6300 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -2.1278 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 M END > DB06914 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NPIOYRIZNLPLDH-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(CCC2(CN3C=CN=C3)OCCO2)C=C1 > InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 > NPIOYRIZNLPLDH-UHFFFAOYSA-N > C15H17ClN2O2 > 292.761 > 292.097855505 > 3 > 37 > 0.21200424015935143 > 30.1009559003456 > 1 > 0 > 0 > 1 > 1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1H-imidazole > 2.22 > 3.2062071366666665 > -3.20 > 0 > 0 > 3 > 0 > 6.429820666469778 > 36.28 > 77.7565 > 5 > 1 > 1.83e-01 g/l > tetrahydrofolic acid > 1 $$$$