General Information of the Compound
| Compound ID |
CP0010908
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| Compound Name |
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H18F3IN4O2
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| Molecular Weight |
482.244
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NCC(F)(F)F)nc2N)cc1I
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| InChI |
InChI=1S/C16H18F3IN4O2/c1-8(2)9-4-12(25-3)10(20)5-11(9)26-13-6-22-15(24-14(13)21)23-7-16(17,18)19/h4-6,8H,7H2,1-3H3,(H3,21,22,23,24)
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| InChIKey |
WEHMBPFRZVWPRY-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