465669 -OEChem-10051721093D 42 44 0 0 0 0 0 0 0999 V2000 5.8274 -0.2688 2.1557 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -1.4392 -1.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 1.7360 -1.9811 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1522 -0.6129 -1.9441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8813 -1.7639 -0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 0.1402 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3929 -1.1518 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 1.2775 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 1.8422 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7848 0.4420 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1256 -2.1996 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 -2.2219 -0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 -0.6058 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -1.9265 0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.3219 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 2.9039 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -1.4287 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1732 -1.2321 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 1.8634 1.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0082 3.4456 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 2.9252 0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 -1.6932 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6641 -0.2607 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1924 -1.1680 1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9371 0.2646 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7013 -0.1892 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 1.4740 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 -3.2333 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 -3.1249 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 -2.5216 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 -2.7530 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 0.4949 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 3.3269 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -2.4755 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1109 1.4569 2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5411 4.2716 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5321 -2.4547 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 0.1428 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3251 3.3455 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7874 -1.5210 2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3342 1.0279 -1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6923 0.2200 0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 8 2 0 0 0 0 4 17 2 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 13 2 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 20 2 0 0 0 0 16 33 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > DB07826 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DTGVSZSMDOMAEB-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(OCC(=O)NC2=CC=CC=C2)C(=C1)C(=O)C1=CC=CC=C1 > InChI=1S/C21H16ClNO3/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)26-14-20(24)23-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24) > DTGVSZSMDOMAEB-UHFFFAOYSA-N > C21H16ClNO3 > 365.81 > 365.08187109 > 3 > 42 > -2.6400767749016905e-06 > 36.771821185293035 > 1 > 1 > 0 > 1 > 2-(2-benzoyl-4-chlorophenoxy)-N-phenylacetamide > 4.41 > 4.79125747 > -5.89 > 1 > 0 > 3 > 0 > 17.39034618689696 > 12.57839317326915 > -4.934323609992075 > 55.400000000000006 > 102.26340000000002 > 6 > 1 > 4.75e-04 g/l > tetrahydrofolic acid > 0 $$$$