General Information of the Compound
| Compound ID |
CP0222530
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| Compound Name |
4-N-(2-methylquinolin-3-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H23N5O3
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| Molecular Weight |
417.469
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| Canonical SMILES |
COc1cc(Nc2nccc(Nc3cc4ccccc4nc3C)n2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H23N5O3/c1-14-18(11-15-7-5-6-8-17(15)25-14)27-21-9-10-24-23(28-21)26-16-12-19(29-2)22(31-4)20(13-16)30-3/h5-13H,1-4H3,(H2,24,26,27,28)
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| InChIKey |
RVAHRFFGUGBBIN-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