General Information of the Compound
| Compound ID |
CP0010387
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| Compound Name |
5-(4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C14H18N4O2
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| Molecular Weight |
274.324
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| Canonical SMILES |
COc1ccc(Oc2cnc(N)nc2N)c(c1)C(C)C
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| InChI |
InChI=1S/C14H18N4O2/c1-8(2)10-6-9(19-3)4-5-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
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| InChIKey |
HIKYTWIVLKHYIM-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