46937112 -OEChem-10051721123D 42 44 0 0 0 0 0 0 0999 V2000 1.2758 -0.3045 2.2109 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 1.9516 -1.9762 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 -0.3607 2.1569 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 1.8923 -2.0241 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9646 -0.6509 -1.3703 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 -2.7532 -0.7949 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8531 -1.2138 0.5735 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 -1.2255 1.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 -1.4724 0.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9708 -2.4091 -1.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 -2.5718 -0.9245 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8711 0.7347 0.0386 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1265 0.0848 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3589 0.0175 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0248 -0.6721 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 0.8232 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4554 0.7638 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 0.8543 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7647 1.2949 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0558 1.2840 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 -0.2159 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 0.2355 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 1.3817 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.2057 1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7506 1.3518 -0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5019 -0.3382 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4523 2.0763 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 -0.3088 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -1.9690 -0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 2.1058 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 0.9132 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8911 -1.5053 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1208 -0.5671 0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6953 0.2438 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2717 2.0797 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7717 2.0632 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 1.3886 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 -1.2993 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 3.0179 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3696 3.0577 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6507 0.9825 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8628 -3.2840 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 5 32 1 0 0 0 0 6 32 1 0 0 0 0 7 32 1 0 0 0 0 8 21 2 0 0 0 0 9 28 1 0 0 0 0 9 32 1 0 0 0 0 10 29 1 0 0 0 0 10 42 1 0 0 0 0 11 29 2 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 27 30 2 0 0 0 0 27 39 1 0 0 0 0 28 31 2 0 0 0 0 30 31 1 0 0 0 0 30 40 1 0 0 0 0 31 41 1 0 0 0 0 M END > DB07978 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ULMUPVXFUDHRGH-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=C(C=CC1)C(=O)NC1=C(F)C(F)=C(C(F)=C1F)C1=CC(OC(F)(F)F)=CC=C1 > InChI=1S/C20H10F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1-5,7H,6H2,(H,28,29)(H,30,31) > ULMUPVXFUDHRGH-UHFFFAOYSA-N > C20H10F7NO4 > 461.2865 > 461.049805248 > 4 > 42 > -1.0098759783644549 > 36.6622548707289 > 1 > 2 > 0 > 1 > 2-{[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl]carbamoyl}cyclopenta-1,3-diene-1-carboxylic acid > 4.97 > 5.452554344333333 > -4.51 > 1 > -1 > 3 > -1 > 9.000187146594982 > 2.3188098945196858 > -1.6058042390532525 > 75.63 > 94.58600000000003 > 6 > 0 > 1.43e-02 g/l > tetrahydrofolic acid > 0 $$$$