General Information of the Compound
| Compound ID |
CP0530730
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-(hydroxymethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C17H15ClFN3O3S
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| Molecular Weight |
395.843
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| Canonical SMILES |
CCOC(=O)C1=C(CO)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
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| InChI |
InChI=1S/C17H15ClFN3O3S/c1-2-25-17(24)13-12(8-23)21-15(16-20-5-6-26-16)22-14(13)10-4-3-9(19)7-11(10)18/h3-7,14,23H,2,8H2,1H3,(H,21,22)
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| InChIKey |
OGTPMIGIIQJULS-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