General Information of the Compound
| Compound ID |
CP0009399
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| Compound Name |
2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]-2-methylpropan-1-ol
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| Structure |
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| Formula |
C18H25IN4O3
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| Molecular Weight |
472.327
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NC(C)(C)CO)nc2N)cc1I
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| InChI |
InChI=1S/C18H25IN4O3/c1-10(2)11-6-14(25-5)12(19)7-13(11)26-15-8-21-17(22-16(15)20)23-18(3,4)9-24/h6-8,10,24H,9H2,1-5H3,(H3,20,21,22,23)
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| InChIKey |
OLLXXVGRMYIESK-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