General Information of the Compound
| Compound ID |
CP0557442
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-(2-methoxyethoxymethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C20H21ClFN3O4S
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| Molecular Weight |
453.923
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| Canonical SMILES |
CCOC(=O)C1=C(COCCOC)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
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| InChI |
InChI=1S/C20H21ClFN3O4S/c1-3-29-20(26)16-15(11-28-8-7-27-2)24-18(19-23-6-9-30-19)25-17(16)13-5-4-12(22)10-14(13)21/h4-6,9-10,17H,3,7-8,11H2,1-2H3,(H,24,25)
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| InChIKey |
VDHXBYFUTPMXSB-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