General Information of the Compound
| Compound ID |
CP0438797
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| Compound Name |
1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-propyl-purine-2,6-dione
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| Structure |
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| Formula |
C19H25N5O2
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| Molecular Weight |
355.442
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| Canonical SMILES |
CCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C19H25N5O2/c1-5-11-24-15(13-21(2)12-14-9-7-6-8-10-14)20-17-16(24)18(25)23(4)19(26)22(17)3/h6-10H,5,11-13H2,1-4H3
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| InChIKey |
YXUWZBOASXLGTC-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