24779676 -OEChem-10051721193D 41 44 0 0 0 0 0 0 0999 V2000 -7.6508 1.9297 -0.1026 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 -1.3853 0.0144 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 -0.2083 0.0235 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 0.8411 0.0189 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 0.3218 0.0209 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 -1.9431 0.0147 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 -1.8933 0.0111 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -5.8771 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 -0.0263 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 -2.3261 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 -1.1096 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0533 -0.6500 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 -0.3506 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 -3.5402 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 2.2356 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -3.2122 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3786 0.0236 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3448 -0.0192 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2146 2.9770 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 2.8878 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5815 0.7291 1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5477 0.6863 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1661 1.0604 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1561 4.3707 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 4.2815 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 5.0228 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -4.8264 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4387 -1.7511 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 -1.7806 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 0.7922 0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1903 0.4595 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3541 -3.8762 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9319 -0.2269 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8717 -0.3032 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 2.4813 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 2.3612 1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0518 1.0144 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9916 0.9381 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 4.9482 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 4.7903 1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 6.1080 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 16 2 0 0 0 0 8 27 3 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 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 24 1 0 0 0 0 19 35 1 0 0 0 0 20 25 2 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END > DB08354 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QCVULERVJOYHCP-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(CNC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)C=C1 > InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26) > QCVULERVJOYHCP-UHFFFAOYSA-N > C19H14ClN7 > 375.814 > 375.09992119 > 6 > 41 > -2.431287986939584e-07 > 37.942934659787014 > 1 > 2 > 0 > 1 > 2-{[(4-chlorophenyl)methyl]amino}-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile > 3.45 > 4.426806891 > -4.38 > 0 > 0 > 4 > 0 > 15.444547851631963 > 13.436315406107068 > 0.28131270831474947 > 90.93 > 116.186 > 5 > 1 > 1.56e-02 g/l > tetrahydrofolic acid > 0 $$$$