General Information of the Compound
| Compound ID |
CP0452506
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| Compound Name |
N-(dicyclopropylmethyl)-9-(4-methoxy-2-methylphenyl)-2-methylpurin-6-amine
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| Structure |
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| Formula |
C21H25N5O
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| Molecular Weight |
363.465
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| Canonical SMILES |
COc1ccc(c(C)c1)-n1cnc2c(NC(C3CC3)C3CC3)nc(C)nc12
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| InChI |
InChI=1S/C21H25N5O/c1-12-10-16(27-3)8-9-17(12)26-11-22-19-20(23-13(2)24-21(19)26)25-18(14-4-5-14)15-6-7-15/h8-11,14-15,18H,4-7H2,1-3H3,(H,23,24,25)
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| InChIKey |
RCQLVHRIOXVLQM-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