General Information of the Compound
| Compound ID |
CP0526460
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| Compound Name |
4-N,4-N-bis(2-methoxyethyl)-2-methyl-5-methylsulfanyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C21H32N4O2S
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| Molecular Weight |
404.58
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| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC
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| InChI |
InChI=1S/C21H32N4O2S/c1-14-12-15(2)18(16(3)13-14)24-20-19(28-7)21(23-17(4)22-20)25(8-10-26-5)9-11-27-6/h12-13H,8-11H2,1-7H3,(H,22,23,24)
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| InChIKey |
FJFIUUZGIIIUIB-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