General Information of the Compound
| Compound ID |
CP0417362
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-(ethoxymethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C19H19ClFN3O3S
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| Molecular Weight |
423.897
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| Canonical SMILES |
CCOCC1=C(C(N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OCC
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| InChI |
InChI=1S/C19H19ClFN3O3S/c1-3-26-10-14-15(19(25)27-4-2)16(12-6-5-11(21)9-13(12)20)24-17(23-14)18-22-7-8-28-18/h5-9,16H,3-4,10H2,1-2H3,(H,23,24)
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| InChIKey |
WPPCAOCLJDLMSK-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