446134 -OEChem-10051720213D 34 35 0 1 0 0 0 0 0999 V2000 -1.0192 -0.7005 -2.0045 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -0.1771 0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 -1.5476 0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 0.8733 0.2493 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4873 0.6454 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2422 0.2315 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 0.0684 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7336 1.0219 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 1.8223 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 -0.1406 -0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6452 0.8130 1.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 0.0160 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7648 -0.4365 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 1.0072 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2047 -1.1833 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 0.7995 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 -1.3910 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 -0.3996 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9612 -1.3221 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 1.3269 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5127 -0.2267 -1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 1.4753 2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 2.1073 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 1.3627 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 2.7430 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2399 1.1090 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 1.9478 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -1.9668 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 1.5713 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9984 -2.3246 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5049 -0.5614 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 -1.8377 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -1.9975 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 -0.9773 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 M END > DB03753 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CPJBKHZROFMSQM-NSHDSACASA-N/SDF?record_type=3d > COC(=O)[C@@H](C)C1=CC=C(C(F)=C1)C1=CC=CC=C1 > InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1 > CPJBKHZROFMSQM-NSHDSACASA-N > C16H15FO2 > 258.2875 > 258.105607929 > 1 > 34 > 0.0 > 27.478058851264514 > 1 > 0 > 0 > 1 > methyl (2S)-2-{2-fluoro-[1,1'-biphenyl]-4-yl}propanoate > 4.24 > 4.089801738 > -4.74 > 0 > 0 > 2 > 0 > -7.113413684254567 > 26.3 > 72.06180000000002 > 4 > 1 > 4.71e-03 g/l > tetrahydrofolic acid > 1 $$$$