16231 -OEChem-11171919103D 23 23 0 0 0 0 0 0 0999 V2000 -2.3546 2.6599 -0.5229 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 -1.6986 -1.2164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0899 -1.1792 0.5167 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 0.8520 -0.6063 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -2.6725 0.3395 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 0.5125 -0.7213 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9055 0.3375 0.6773 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 1.7951 0.6579 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 -0.1091 1.4587 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -0.3859 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8098 -1.3886 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 0.0638 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 1.0616 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 -0.5957 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 0.7473 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 -3.3770 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.7485 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4387 -0.4193 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 1.2884 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 2.5074 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1193 1.8881 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -0.9450 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 0.0702 2.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 4 10 1 0 0 0 0 4 13 2 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 13 1 0 0 0 0 M END > DB00594 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XSDQTOBWRPYKKA-UHFFFAOYSA-N/SDF?record_type=3d > NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N > InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) > XSDQTOBWRPYKKA-UHFFFAOYSA-N > C6H8ClN7O > 229.627 > 229.04788562 > 7 > 23 > 20.004164002612725 > 1 > 5 > 0 > 0 > 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide > -0.48 > -0.4954324606666666 > -2.57 > 0 > 1 > 1 > 17.81367730138951 > 11.426254308302052 > 7.345919090361843 > 156.79 > 67.18119999999999 > 1 > 1 > 6.16e-01 g/l > pentostatin > 0 $$$$