General Information of the Compound
| Compound ID |
CP0390146
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| Compound Name |
9-[2-chloro-4-(difluoromethoxy)phenyl]-N-(dicyclopropylmethyl)-2,8-dimethylpurin-6-amine
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| Structure |
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| Formula |
C21H22ClF2N5O
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| Molecular Weight |
433.89
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| Canonical SMILES |
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1Cl
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| InChI |
InChI=1S/C21H22ClF2N5O/c1-10-25-19(28-17(12-3-4-12)13-5-6-13)18-20(26-10)29(11(2)27-18)16-8-7-14(9-15(16)22)30-21(23)24/h7-9,12-13,17,21H,3-6H2,1-2H3,(H,25,26,28)
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| InChIKey |
DLFAZYMHUGUADW-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound