23656870 -OEChem-10051721193D 45 48 0 0 0 0 0 0 0999 V2000 1.8810 0.3781 2.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 -0.8611 0.0788 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 -2.3545 -0.1795 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4347 2.2682 -1.1141 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 -0.0397 -0.6497 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 1.4415 -0.3781 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 -1.8365 0.4926 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 1.4449 1.3864 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3281 2.0109 0.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 -1.0780 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 0.3755 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 1.2173 -0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9412 2.4248 -0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 0.1948 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 -2.8110 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5898 1.8563 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 2.0124 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6034 -1.1839 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6701 3.1497 -1.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 2.7372 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 3.3058 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9926 -3.9094 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2329 -2.1691 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -4.3659 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5181 -2.6256 -1.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0405 -3.7240 -1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5084 1.1943 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 0.6904 2.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 0.2568 3.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 -3.0550 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 3.0959 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 1.3350 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4606 -1.7434 1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 3.5965 -2.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7703 2.8671 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 3.8699 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 -4.4182 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -1.3417 -2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6211 1.6043 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -5.2211 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -2.1325 -2.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 -4.0806 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6065 1.1340 3.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8353 -0.3896 2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 -0.2972 4.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 18 2 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 8 39 1 0 0 0 0 9 27 3 0 0 0 0 11 14 2 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > DB08362 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QVKXQLGRDOMAGC-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)NC1=CC=CC(NC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)=C1 > InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27) > QVKXQLGRDOMAGC-UHFFFAOYSA-N > C20H16N8O > 384.394 > 384.144707174 > 7 > 45 > -2.0761791860241962e-05 > 40.06384446637921 > 1 > 3 > 0 > 1 > N-(3-{[8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}phenyl)acetamide > 2.71 > 3.3031471126666667 > -4.04 > 0 > 0 > 4 > 0 > 14.612529123191292 > 11.680889803928803 > 0.06521618473327133 > 120.03 > 119.92400000000002 > 5 > 1 > 3.50e-02 g/l > biotin > 0 $$$$