General Information of the Compound
| Compound ID |
CP0437432
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| Compound Name |
6-(1-Ethyl-pentylamino)-2,7-dimethyl-9-(2,4,6-trimethyl-phenyl)-7,9-dihydro-purin-8-one
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| Structure |
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| Formula |
C23H33N5O
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| Molecular Weight |
395.551
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| Canonical SMILES |
CCCCC(CC)Nc1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12
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| InChI |
InChI=1S/C23H33N5O/c1-8-10-11-18(9-2)26-21-20-22(25-17(6)24-21)28(23(29)27(20)7)19-15(4)12-14(3)13-16(19)5/h12-13,18H,8-11H2,1-7H3,(H,24,25,26)
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| InChIKey |
QMMFABQPXUDKBC-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