General Information of the Compound
| Compound ID |
CP0577945
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| Compound Name |
7-methyl-2-[(7-methylquinazolin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
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| Structure |
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| Formula |
C20H21N7O2
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| Molecular Weight |
391.435
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| Canonical SMILES |
Cc1cc2ncncc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
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| InChI |
InChI=1S/C20H21N7O2/c1-12-7-16-13(9-21-11-23-16)8-15(12)24-19-22-10-17-18(25-19)27(20(28)26(17)2)14-3-5-29-6-4-14/h7-11,14H,3-6H2,1-2H3,(H,22,24,25)
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| InChIKey |
SSZAAHLAQZPHBG-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