General Information of the Compound
| Compound ID |
CP0560734
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| Compound Name |
2-chloro-1-[2,4-diamino-6-[2-(4-tert-butylphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]ethanone
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| Formula |
C21H28ClN5O
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| Molecular Weight |
401.942
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| Canonical SMILES |
CC(C)(C)c1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CCl)cc1
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| InChI |
InChI=1S/C21H28ClN5O/c1-21(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16-18(27(15)17(28)12-22)19(23)26-20(24)25-16/h4-5,7-8,15H,6,9-12H2,1-3H3,(H4,23,24,25,26)
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| InChIKey |
YEHBQHGYKVRZGN-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