10150081 -OEChem-10051721163D 38 39 0 0 0 0 0 0 0999 V2000 1.8529 -2.3775 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 -4.6460 0.6580 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 1.5273 -2.4094 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3251 1.2635 -0.3932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 0.8051 -1.4583 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7385 3.2371 1.4722 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5158 -0.0495 -0.6897 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 0.1079 -0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 -1.2148 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 -1.2268 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4497 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 -2.3734 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 -2.3903 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 -0.0372 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 -3.5369 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 -3.5453 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 1.2370 -1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 0.1541 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 1.7286 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5402 0.6454 1.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 1.4328 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1278 1.6339 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 2.8780 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 1.9366 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 2.3608 1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 0.5195 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3623 -2.4459 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -4.4532 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -0.4335 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 2.3409 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 0.4111 2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 -0.4956 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8144 0.8178 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 1.8288 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5518 2.7137 -0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2508 3.7135 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3489 2.4983 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 2.7363 1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 14 2 0 0 0 0 6 23 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 3 0 0 0 0 25 38 1 0 0 0 0 M END > DB08208 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AMNKRBRQQAMACZ-UHFFFAOYSA-N/SDF?record_type=3d > OCCONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(C=C1F)C#C > InChI=1S/C17H13F3N2O3/c1-2-10-3-6-14(13(19)9-10)21-16-11(4-5-12(18)15(16)20)17(24)22-25-8-7-23/h1,3-6,9,21,23H,7-8H2,(H,22,24) > AMNKRBRQQAMACZ-UHFFFAOYSA-N > C17H13F3N2O3 > 350.2919 > 350.087826907 > 4 > 38 > -1.0316776647332775e-05 > 31.43930640304741 > 1 > 3 > 0 > 1 > 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide > 2.66 > 3.8274299686666664 > -4.73 > 0 > 0 > 2 > 0 > 14.817206224849757 > 11.987201582811513 > -2.776282386959789 > 70.59 > 81.9833 > 6 > 1 > 6.59e-03 g/l > tetrahydrofolic acid > 0 $$$$