General Information of the Compound
| Compound ID |
CP0014247
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| Compound Name |
4-N-benzyl-6-(2-methoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C24H23N5O
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| Molecular Weight |
397.482
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| Canonical SMILES |
COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccc1)Cc1ccccn1
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| InChI |
InChI=1S/C24H23N5O/c1-30-22-13-6-5-12-20(22)21-15-23(28-24(25)27-21)29(16-18-9-3-2-4-10-18)17-19-11-7-8-14-26-19/h2-15H,16-17H2,1H3,(H2,25,27,28)
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| InChIKey |
PYQASECWXQVLOF-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