445967 -OEChem-10051719583D 36 38 0 0 0 0 0 0 0999 V2000 0.3243 0.2579 -0.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 -1.4421 0.0429 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1032 1.4765 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 2.1732 -0.2478 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -3.2253 0.3508 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 -0.1347 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 0.8671 0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 -1.2134 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 1.4764 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -0.6006 -0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 0.4012 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.7697 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -0.1217 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 0.8050 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 0.3436 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6471 -0.9989 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -1.8377 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 2.5431 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6783 0.4233 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8696 0.3687 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 1.6776 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -1.8783 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -1.8365 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5445 2.1371 1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 2.0984 -0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2522 -0.0993 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9137 -1.3946 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4115 0.8698 0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4824 -0.1274 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 -1.3155 0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 -1.4716 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -1.3464 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1103 1.5165 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6357 3.5563 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 -3.5872 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -3.8440 0.3357 H 0 0 0 0 0 0 0 0 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 17 2 0 0 0 0 3 15 1 0 0 0 0 3 18 1 0 0 0 0 3 33 1 0 0 0 0 4 14 1 0 0 0 0 4 18 2 0 0 0 0 5 17 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 34 1 0 0 0 0 M END > DB02603 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VPUIDVRYMVIXGO-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1 > InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16) > VPUIDVRYMVIXGO-UHFFFAOYSA-N > C13H18N4O > 246.3082 > 246.148061218 > 4 > 36 > 0.19264833632543843 > 27.30201297897898 > 1 > 2 > 0 > 1 > 4-(cyclohexylmethoxy)-1H-imidazo[4,5-c]pyridin-6-amine > 2.55 > 2.3584326806666667 > -2.93 > 0 > 0 > 3 > 0 > 9.229639169764033 > 5.447092745491631 > 76.82000000000001 > 70.3472 > 3 > 1 > 2.88e-01 g/l > biotin > 0 $$$$