General Information of the Compound
| Compound ID |
CP0010726
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| Compound Name |
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N,2-N-dimethylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H21IN4O2
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| Molecular Weight |
428.274
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(nc2N)N(C)C)cc1I
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| InChI |
InChI=1S/C16H21IN4O2/c1-9(2)10-6-13(22-5)11(17)7-12(10)23-14-8-19-16(21(3)4)20-15(14)18/h6-9H,1-5H3,(H2,18,19,20)
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| InChIKey |
MLLJZUWEFDZXKK-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