5289110 -OEChem-10051720413D 50 52 0 0 0 0 0 0 0999 V2000 -8.4658 0.3835 -1.7512 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4724 0.4174 1.7357 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2766 1.2991 1.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2629 1.2727 -1.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -0.7551 1.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 -0.7852 -1.5551 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -1.9630 0.5382 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -1.9687 -0.5138 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5244 -0.0699 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 -0.0894 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 -0.2387 2.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 -0.2761 -2.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6357 1.1353 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6302 1.1278 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6303 1.2920 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6289 1.3022 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3937 -1.1206 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -1.1324 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5066 0.2422 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5094 0.2592 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3884 -0.9641 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -0.9581 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 0.0566 1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 0.0453 -1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 -0.6145 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -0.6351 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 2.5828 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7516 2.6046 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 0.1177 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.5673 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2518 0.7159 2.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7792 -0.9399 2.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -0.9879 -2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2404 0.6690 -2.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9538 1.9534 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9456 1.9418 -0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3096 -2.0652 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3097 -2.0864 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 -1.7643 1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 -1.7927 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0706 -1.7813 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0765 -1.7701 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1645 3.3774 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7954 2.9185 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4013 2.4624 -2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1623 3.3914 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7938 2.9413 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4009 2.5006 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 1.1998 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 -3.6503 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 5 39 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 40 1 0 0 0 0 7 25 2 0 0 0 0 7 30 1 0 0 0 0 8 26 1 0 0 0 0 8 30 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 26 29 2 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB04760 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PYFRREJCFXFNRR-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(F)C=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC(C)=C(F)C=C2)=C1 > InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30) > PYFRREJCFXFNRR-UHFFFAOYSA-N > C22H20F2N4O2 > 410.4166 > 410.155432314 > 4 > 50 > -8.701020892405657e-07 > 42.01414319470013 > 1 > 2 > 0 > 1 > N4,N6-bis[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide > 2.67 > 3.7312617133333337 > -5.13 > 1 > 0 > 3 > 0 > 14.104737544670428 > 13.099003134157044 > -1.3195713241870837 > 83.97999999999999 > 109.66889999999998 > 6 > 1 > 3.01e-03 g/l > biotin > 0 $$$$