General Information of the Compound
| Compound ID |
CP0007615
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| Compound Name |
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H23IN4O4S
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| Molecular Weight |
506.366
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NCCS(C)(=O)=O)nc2N)cc1I
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| InChI |
InChI=1S/C17H23IN4O4S/c1-10(2)11-7-14(25-3)12(18)8-13(11)26-15-9-21-17(22-16(15)19)20-5-6-27(4,23)24/h7-10H,5-6H2,1-4H3,(H3,19,20,21,22)
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| InChIKey |
AAAAEENPAALFRN-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