General Information of the Compound
| Compound ID |
CP0006400
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| Compound Name |
5-(4-methoxy-5-phenyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1
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| InChI |
InChI=1S/C20H22N4O2/c1-12(2)14-9-16(25-3)15(13-7-5-4-6-8-13)10-17(14)26-18-11-23-20(22)24-19(18)21/h4-12H,1-3H3,(H4,21,22,23,24)
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| InChIKey |
HWWMBMTVBODZCC-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