24801862 -OEChem-10051721133D 44 47 0 0 0 0 0 0 0999 V2000 -2.5173 -1.0064 0.2595 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -0.9335 -0.1254 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2879 -2.9590 0.6185 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 0.3225 0.1061 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 -0.0203 -1.6102 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6292 0.3862 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 0.5190 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 1.1943 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 1.9821 -1.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 2.6565 0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 2.7894 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 -1.7226 0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 -1.6636 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 -1.5984 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -0.8146 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -3.5617 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 -2.9253 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 0.7704 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -1.0027 -1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0143 0.9662 1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 1.9558 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 2.0820 1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7852 2.5836 0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 0.8245 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5282 0.0595 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 -0.0092 -2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 1.1413 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 0.7927 1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 2.4191 -2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 2.0457 -2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8231 3.1917 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4202 3.1334 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3046 2.4440 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3835 3.8447 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 -2.5599 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 -2.1186 1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -1.1068 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -4.6051 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0363 -3.4478 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9568 -1.7954 -2.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 0.5496 1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 2.3394 -0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 2.6182 2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 3.4863 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 13 2 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 18 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END > DB08023 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HYNNWLVWJXWXFO-UHFFFAOYSA-N/SDF?record_type=3d > CN(C1CCCCC1)C1=NC(=CC=N1)C1=CN=C2C=CC=CN12 > InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3 > HYNNWLVWJXWXFO-UHFFFAOYSA-N > C18H21N5 > 307.3928 > 307.179695697 > 4 > 44 > 0.020014733279388276 > 34.85020386203724 > 1 > 0 > 0 > 1 > N-cyclohexyl-4-{imidazo[1,2-a]pyridin-3-yl}-N-methylpyrimidin-2-amine > 4.16 > 3.3752162880000003 > -3.74 > 0 > 0 > 4 > 0 > 5.271244539750206 > 46.32000000000001 > 92.6312 > 3 > 1 > 5.60e-02 g/l > biotin > 0 $$$$