General Information of the Compound
| Compound ID |
CP0273467
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| Compound Name |
2-chloro-N-[(2S)-2,3-dihydroxypropyl]-5-(2-fluoro-4-iodoanilino)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C14H13ClFIN4O3
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| Molecular Weight |
466.638
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| Canonical SMILES |
OC[C@@H](O)CNC(=O)c1nc(Cl)ncc1Nc1ccc(I)cc1F
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| InChI |
InChI=1S/C14H13ClFIN4O3/c15-14-19-5-11(20-10-2-1-7(17)3-9(10)16)12(21-14)13(24)18-4-8(23)6-22/h1-3,5,8,20,22-23H,4,6H2,(H,18,24)/t8-/m0/s1
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| InChIKey |
CDGIQRUGHAEJFI-QMMMGPOBSA-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