General Information of the Compound
| Compound ID |
CP0007198
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| Compound Name |
5-(5-bromo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C14H17BrN4O2
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| Molecular Weight |
353.22
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Br
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| InChI |
InChI=1S/C14H17BrN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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| InChIKey |
BXDKERQVHSVAEI-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