General Information of the Compound
| Compound ID |
CP0114236
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| Compound Name |
N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine
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| Structure |
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| Formula |
C20H15ClFN7
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| Molecular Weight |
407.84
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| Canonical SMILES |
CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1
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| InChI |
InChI=1S/C20H15ClFN7/c1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12/h2-11H,1H3,(H2,24,25,26,27,28)
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| InChIKey |
VGHYNTJVONZAKN-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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