6918710 -OEChem-10051720573D 31 34 0 0 0 0 0 0 0999 V2000 3.3590 0.3338 -0.2639 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 -0.4074 -0.1949 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9529 -1.9019 0.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0303 -0.0394 -0.1918 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 -1.2959 -0.5688 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9887 0.9258 -0.1125 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 1.6513 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 2.7005 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 2.8735 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 -0.7100 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -1.4268 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 -1.1257 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 0.1043 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.6952 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0436 -2.8761 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 -1.9453 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 1.3767 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 2.3828 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5187 2.0749 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 1.6562 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 3.3458 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 2.4509 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7451 2.7400 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8607 3.6353 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 0.0829 -0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 -3.5109 0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4537 -3.8381 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -2.9925 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 1.5483 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 3.3818 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 2.9252 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 3 10 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 5 16 2 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB07164 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CAGHIASAHLPQMS-UHFFFAOYSA-N/SDF?record_type=3d > C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1 > InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18) > CAGHIASAHLPQMS-UHFFFAOYSA-N > C13H12N6 > 252.2746 > 252.112344414 > 5 > 31 > 0.001098263029802717 > 26.072557121915892 > 1 > 1 > 0 > 1 > N-cyclopropyl-4-{pyrazolo[1,5-b]pyridazin-3-yl}pyrimidin-2-amine > 1.87 > 1.4541768859999997 > -3.80 > 0 > 0 > 4 > 0 > 15.099023173066296 > 3.0562424666385954 > 68.0 > 83.68599999999998 > 3 > 1 > 4.02e-02 g/l > tetrahydrofolic acid > 0 $$$$