General Information of the Compound
| Compound ID |
CP0453238
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| Compound Name |
4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N-neopentylpyrimidin-5-amine
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| Structure |
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| Formula |
C20H29N3O2
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| Molecular Weight |
343.471
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| Canonical SMILES |
COc1cc(C)cc(C)c1-c1nc(C)c(NCC(C)(C)C)c(OC)n1
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| InChI |
InChI=1S/C20H29N3O2/c1-12-9-13(2)16(15(10-12)24-7)18-22-14(3)17(19(23-18)25-8)21-11-20(4,5)6/h9-10,21H,11H2,1-8H3
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| InChIKey |
ZGVNNHQVPVNBDQ-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