44629554 -OEChem-10051721223D 45 48 0 0 0 0 0 0 0999 V2000 1.9858 2.3936 1.9043 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 0.3951 -1.9326 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1495 -1.7217 0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7037 -0.2670 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -0.9705 0.2241 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 -2.8787 0.3551 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8658 0.1900 -1.3052 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.0612 0.9394 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9161 0.4109 -0.1853 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -1.9720 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -3.3313 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3483 -0.4200 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9183 -4.0943 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 0.2390 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 0.5961 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 -3.8313 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 1.0075 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 1.3660 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 -4.2915 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 0.8474 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 2.4025 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 1.3863 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8028 3.4597 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 2.4431 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5264 0.3470 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 1.1915 0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7544 3.4799 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5122 0.5615 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7159 -5.0798 1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5976 -3.5832 1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 1.6323 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -4.8554 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 -1.1072 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0445 1.4674 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0609 1.7012 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 -4.8257 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 -4.8739 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 -3.3301 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 4.2666 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 2.4587 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0077 0.0468 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 1.5930 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 4.3028 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4453 0.6760 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3752 0.0397 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 16 2 0 0 0 0 7 25 2 0 0 0 0 7 28 1 0 0 0 0 8 26 1 0 0 0 0 8 28 2 0 0 0 0 9 28 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 25 1 0 0 0 0 20 26 2 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END > DB08538 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HQPVGVSQPQVZLD-UHFFFAOYSA-N/SDF?record_type=3d > CCC1=C2N=C(C=C(NCC3=CN=C(N)N=C3)N2N=C1)C1=C(F)C=CC=C1F > InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25) > HQPVGVSQPQVZLD-UHFFFAOYSA-N > C19H17F2N7 > 381.382 > 381.151349989 > 6 > 45 > 0.0009094184218015018 > 38.32134413204908 > 1 > 2 > 0 > 1 > 5-({[5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino}methyl)pyrimidin-2-amine > 3.11 > 3.142334197 > -4.24 > 0 > 0 > 4 > 0 > 16.580350549621446 > 3.2634424132208584 > 94.02 > 113.9832 > 5 > 1 > 2.18e-02 g/l > tetrahydrofolic acid > 0 $$$$