General Information of the Compound
| Compound ID |
CP0513832
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C21H22ClFN4O3S2
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| Molecular Weight |
497.017
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CC[S+]([O-])CC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
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| InChI |
InChI=1S/C21H22ClFN4O3S2/c1-2-30-21(28)17-16(12-27-6-9-32(29)10-7-27)25-19(20-24-5-8-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,8,11,18H,2,6-7,9-10,12H2,1H3,(H,25,26)
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| InChIKey |
ZTTCXHKUCBLQFR-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