General Information of the Compound
| Compound ID |
CP0568474
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| Compound Name |
methyl 4-[2-[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]ethyl]benzoate
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CCCCNc1nc(N)nc2ccc(CCc3ccc(cc3)C(=O)OC)nc12
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| InChI |
InChI=1S/C21H25N5O2/c1-3-4-13-23-19-18-17(25-21(22)26-19)12-11-16(24-18)10-7-14-5-8-15(9-6-14)20(27)28-2/h5-6,8-9,11-12H,3-4,7,10,13H2,1-2H3,(H3,22,23,25,26)
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| InChIKey |
YSYUODPJWTUHDB-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