General Information of the Compound
| Compound ID |
CP0571209
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| Compound Name |
N-(1,3-dihydroxypropan-2-yl)-5-(2-fluoro-4-iodoanilino)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C14H14FIN4O3
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| Molecular Weight |
432.193
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| Canonical SMILES |
OCC(CO)NC(=O)c1ncncc1Nc1ccc(I)cc1F
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| InChI |
InChI=1S/C14H14FIN4O3/c15-10-3-8(16)1-2-11(10)20-12-4-17-7-18-13(12)14(23)19-9(5-21)6-22/h1-4,7,9,20-22H,5-6H2,(H,19,23)
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| InChIKey |
MDDNDJOIPTWYHD-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