General Information of the Compound
| Compound ID |
CP0113690
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| Compound Name |
5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C13H12FIN4O2
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| Molecular Weight |
402.167
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| Canonical SMILES |
OCCNC(=O)c1ncncc1Nc1ccc(I)cc1F
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| InChI |
InChI=1S/C13H12FIN4O2/c14-9-5-8(15)1-2-10(9)19-11-6-16-7-18-12(11)13(21)17-3-4-20/h1-2,5-7,19-20H,3-4H2,(H,17,21)
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| InChIKey |
URAXWUIKOKKDBK-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