General Information of the Compound
| Compound ID |
CP0239025
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| Compound Name |
N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine
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| Structure |
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| Formula |
C21H17F2N7
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| Molecular Weight |
405.412
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| Canonical SMILES |
CC(Nc1ncnc2[nH]cnc12)c1c(nc2c(C)cccn12)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C21H17F2N7/c1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13/h3-10,12H,1-2H3,(H2,24,25,26,27,28)
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| InChIKey |
CPTIBQXPYIQVLM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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