General Information of the Compound
| Compound ID |
CP0310568
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| Compound Name |
4-N-methyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H32N4
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| Molecular Weight |
340.515
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| Canonical SMILES |
CC(C)CNc1nc(CCc2ccccc2)cc(n1)N(C)CC(C)C
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| InChI |
InChI=1S/C21H32N4/c1-16(2)14-22-21-23-19(12-11-18-9-7-6-8-10-18)13-20(24-21)25(5)15-17(3)4/h6-10,13,16-17H,11-12,14-15H2,1-5H3,(H,22,23,24)
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| InChIKey |
ITCWMUJOITWVFO-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