General Information of the Compound
| Compound ID |
CP0482639
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| Compound Name |
4-N-(cyclopropylmethyl)-5-ethylsulfanyl-2-methyl-4-N-propyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C23H34N4S
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| Molecular Weight |
398.62
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| Canonical SMILES |
CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC
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| InChI |
InChI=1S/C23H34N4S/c1-7-11-27(14-19-9-10-19)23-21(28-8-2)22(24-18(6)25-23)26-20-16(4)12-15(3)13-17(20)5/h12-13,19H,7-11,14H2,1-6H3,(H,24,25,26)
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| InChIKey |
YBMSMYKJMQQYGZ-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