21066379 -OEChem-10051720543D 42 45 0 0 0 0 0 0 0999 V2000 3.4471 -4.2778 -0.9171 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -1.5913 0.1507 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -0.1704 -0.0101 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 -0.7871 0.1509 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5679 -2.7686 0.2142 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 0.7397 1.1269 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4116 -0.2951 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -1.8126 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -3.1742 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 0.4166 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 0.7441 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 1.0958 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 -3.7047 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 1.5688 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9419 -3.9126 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 0.9014 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4462 2.8079 0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1075 1.4108 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6332 0.7067 -1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6576 0.9094 1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3267 3.8888 0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9879 2.4918 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 3.7309 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0118 0.5286 -1.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6409 0.5531 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 1.7650 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -1.0263 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1517 1.6083 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 1.7596 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -4.7401 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -3.3120 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 -4.8332 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 2.9667 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 0.4573 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1132 0.6900 -2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1695 1.0548 2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 4.8515 0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 2.3695 -1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 4.5720 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 -4.7587 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 0.3746 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7147 0.4188 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 40 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 6 25 2 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 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 2 0 0 0 0 19 35 1 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 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END > DB06983 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RBLKWWBHDUBPFN-UHFFFAOYSA-N/SDF?record_type=3d > OCC1=C2N=C(C=C(NCC3=CN=CC=C3)N2N=C1)C1=CC=CC=C1 > InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2 > RBLKWWBHDUBPFN-UHFFFAOYSA-N > C19H17N5O > 331.3712 > 331.143310191 > 5 > 42 > 0.006514295005023001 > 36.3270140197144 > 1 > 2 > 0 > 1 > (5-phenyl-7-{[(pyridin-3-yl)methyl]amino}pyrazolo[1,5-a]pyrimidin-3-yl)methanol > 2.47 > 1.9875683676666662 > -4.03 > 0 > 0 > 4 > 0 > 14.53713518520502 > 4.816704747128163 > 75.34 > 107.25650000000002 > 5 > 1 > 3.08e-02 g/l > tetrahydrofolic acid > 0 $$$$