General Information of the Compound
| Compound ID |
CP0007197
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| Compound Name |
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H28IN5O4S
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| Molecular Weight |
561.446
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N)cc1I
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| InChI |
InChI=1S/C20H28IN5O4S/c1-12(2)14-9-17(29-3)15(21)10-16(14)30-18-11-23-20(25-19(18)22)24-13-5-7-26(8-6-13)31(4,27)28/h9-13H,5-8H2,1-4H3,(H3,22,23,24,25)
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| InChIKey |
RQMPLNBPKOBZCO-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