General Information of the Compound
| Compound ID |
CP0496500
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| Compound Name |
2-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]benzoic acid
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| Structure |
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| Formula |
C19H21N5O2
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| Molecular Weight |
351.41
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| Canonical SMILES |
CCCCNc1nc(N)nc2ccc(Cc3ccccc3C(O)=O)nc12
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| InChI |
InChI=1S/C19H21N5O2/c1-2-3-10-21-17-16-15(23-19(20)24-17)9-8-13(22-16)11-12-6-4-5-7-14(12)18(25)26/h4-9H,2-3,10-11H2,1H3,(H,25,26)(H3,20,21,23,24)
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| InChIKey |
ZJPMKZNFDVIFFK-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