22049997 -OEChem-10051721113D 49 51 0 0 0 0 0 0 0999 V2000 1.4437 2.8719 0.2873 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 2.1152 -0.2338 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8430 -0.5786 0.8063 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 -0.0336 0.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 2.2115 -0.3649 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8558 -0.5744 2.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 -0.1360 -0.2291 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 0.3740 0.9014 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -0.1735 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -1.3032 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -0.2345 -1.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7927 -0.1486 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.1508 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -1.2197 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 0.0471 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1525 -0.1852 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -0.2709 -2.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 1.1960 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3519 -2.6556 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5648 -0.2464 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 -0.2620 -3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 -0.1284 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1412 -0.1579 1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8487 -0.2457 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 0.9010 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4161 -1.5048 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 0.7885 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 -1.6172 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5473 -0.4706 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4759 0.4909 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 -0.0958 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -2.1102 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -0.3255 -3.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 -2.8960 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6432 -3.4589 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 -2.6770 0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6115 -0.3074 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 0.6364 -2.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -1.1493 -2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7546 -0.2941 -3.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1001 -1.0079 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.7491 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -2.4056 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5632 0.7847 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5887 1.6811 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2074 -2.5972 0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4246 0.4143 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4023 1.4686 2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4062 -0.2966 2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 25 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 5 13 2 0 0 0 0 6 23 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 23 1 0 0 0 0 8 30 1 0 0 0 0 8 44 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 31 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M END > DB07941 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KCAJXIDMCNPGHZ-UHFFFAOYSA-N/SDF?record_type=3d > CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O > InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28) > KCAJXIDMCNPGHZ-UHFFFAOYSA-N > C22H19BrF2N2O3 > 477.299 > 476.054711541 > 3 > 49 > 2.7925534264176545e-09 > 43.78792285277265 > 1 > 1 > 0 > 1 > 3-{3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1,2-dihydropyridin-1-yl}-N,4-dimethylbenzamide > 4.21 > 4.237491287666666 > -5.17 > 0 > 0 > 3 > 0 > 14.793866334444367 > -0.7205821427150011 > 58.64 > 116.85319999999997 > 4 > 1 > 3.21e-03 g/l > tetrahydrofolic acid > 0 $$$$