General Information of the Compound
| Compound ID |
CP0575146
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| Compound Name |
4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
CCCCNc1nc(N)nc2ccc(Cc3ccc(cc3)C(=O)N(C)C)nc12
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| InChI |
InChI=1S/C21H26N6O/c1-4-5-12-23-19-18-17(25-21(22)26-19)11-10-16(24-18)13-14-6-8-15(9-7-14)20(28)27(2)3/h6-11H,4-5,12-13H2,1-3H3,(H3,22,23,25,26)
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| InChIKey |
SCIJPYVGNZUHBZ-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8