5172 -OEChem-10051720263D 39 42 0 0 0 0 0 0 0999 V2000 5.7228 0.7566 -0.4629 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 -1.7371 0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -2.8255 -0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0316 1.2946 -0.6181 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 3.3017 0.6983 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 3.3457 -1.6254 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 -1.3208 -0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 -1.0841 -0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 0.0389 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -1.5343 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 -0.7820 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8763 -2.9478 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 -1.4794 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 0.6298 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -0.9024 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 1.2147 1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 -0.7393 1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 -0.5051 -1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9543 2.5696 1.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 2.6110 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -0.1789 0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 0.0554 -1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 0.2185 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2985 -1.9335 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5945 -1.0491 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 -1.5018 -1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 0.3730 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0639 0.8318 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 -2.4380 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -0.7123 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -3.8780 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 0.6628 2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -1.0438 2.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 -0.6252 -2.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 3.1208 2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 -0.0516 1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 0.3650 -2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 2.8706 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 4.3370 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 3 13 1 0 0 0 0 4 14 2 0 0 0 0 4 20 1 0 0 0 0 5 19 1 0 0 0 0 5 20 2 0 0 0 0 6 20 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 M END > DB03980 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DFEYXQGDDCDXJK-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(=CC=N1)C1=C(N=CN1CC1CC1)C1=CC=C(F)C=C1 > InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22) > DFEYXQGDDCDXJK-UHFFFAOYSA-N > C17H16FN5 > 309.3408 > 309.138973742 > 4 > 39 > 0.009325443617414827 > 31.632012619489053 > 1 > 1 > 0 > 1 > 4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine > 3.13 > 2.9142332753333338 > -3.70 > 0 > 0 > 4 > 0 > 16.378303077575843 > 4.576694857981439 > 69.62 > 86.78450000000001 > 4 > 1 > 6.18e-02 g/l > tetrahydrofolic acid > 0 $$$$