General Information of the Compound
| Compound ID |
CP0571229
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-(propoxymethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C20H21ClFN3O3S
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| Molecular Weight |
437.924
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| Canonical SMILES |
CCCOCC1=C(C(N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OCC
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| InChI |
InChI=1S/C20H21ClFN3O3S/c1-3-8-27-11-15-16(20(26)28-4-2)17(13-6-5-12(22)10-14(13)21)25-18(24-15)19-23-7-9-29-19/h5-7,9-10,17H,3-4,8,11H2,1-2H3,(H,24,25)
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| InChIKey |
PBRYCBUQBVUOGH-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