General Information of the Compound
| Compound ID |
CP0218569
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| Compound Name |
4-N-benzyl-2-N-(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H28N4
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| Molecular Weight |
360.505
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| Canonical SMILES |
CC(C)CNc1nc(CCc2ccccc2)cc(NCc2ccccc2)n1
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| InChI |
InChI=1S/C23H28N4/c1-18(2)16-25-23-26-21(14-13-19-9-5-3-6-10-19)15-22(27-23)24-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)
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| InChIKey |
CRPOCJZOZPVALN-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