5719 -OEChem-10051719263D 38 40 0 0 0 0 0 0 0999 V2000 -2.3117 2.4669 -0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 0.5603 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 -0.1876 0.1911 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 0.4912 1.3705 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 -0.6351 -1.5712 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 1.4665 0.1742 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 -1.0991 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 -0.3471 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.9358 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -0.1914 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0778 0.0539 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 -2.1626 1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 -1.4106 1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2377 -0.0517 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 -2.3183 1.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 -1.5281 -1.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4265 1.9399 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3582 -0.4780 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 0.7305 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 -1.3189 -2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0995 1.0311 1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 2.7897 -0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3261 1.1342 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 0.5913 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7783 0.8614 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2939 -0.7128 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -2.8767 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 -1.5563 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 -3.1401 2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -2.1284 -2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 -0.7755 -1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7428 -1.3595 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1477 0.2569 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -1.8092 -3.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 1.6256 2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 3.7678 -0.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1231 2.3466 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 2.9562 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 21 2 0 0 0 0 5 14 1 0 0 0 0 5 20 2 0 0 0 0 6 23 3 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 16 2 0 0 0 0 10 24 1 0 0 0 0 11 18 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 19 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > DB00962 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HUNXMJYCHXQEGX-UHFFFAOYSA-N/SDF?record_type=3d > CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N > InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 > HUNXMJYCHXQEGX-UHFFFAOYSA-N > C17H15N5O > 305.3339 > 305.127660127 > 4 > 38 > 1.9181007850572921e-07 > 32.09355292501694 > 1 > 0 > 0 > 1 > N-(3-{3-cyanopyrazolo[1,5-a]pyrimidin-7-yl}phenyl)-N-ethylacetamide > 2.00 > 1.5348796856666667 > -3.88 > 0 > 0 > 3 > 0 > 0.2828863017931176 > 74.28999999999999 > 97.23639999999999 > 3 > 1 > 4.03e-02 g/l > biotin > 0 $$$$