General Information of the Compound
| Compound ID |
CP0504496
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| Compound Name |
N-(dicyclopropylmethyl)-9-[4-(difluoromethoxy)-2-methoxyphenyl]-2,8-dimethylpurin-6-amine
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| Structure |
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| Formula |
C22H25F2N5O2
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| Molecular Weight |
429.471
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| Canonical SMILES |
COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
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| InChI |
InChI=1S/C22H25F2N5O2/c1-11-25-20(28-18(13-4-5-13)14-6-7-14)19-21(26-11)29(12(2)27-19)16-9-8-15(31-22(23)24)10-17(16)30-3/h8-10,13-14,18,22H,4-7H2,1-3H3,(H,25,26,28)
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| InChIKey |
XCBGBGCTCSPORT-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