General Information of the Compound
| Compound ID |
CP0482400
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| Compound Name |
4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylic acid
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| Structure |
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| Formula |
C15H11ClFN3O2S
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| Molecular Weight |
351.79
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| Canonical SMILES |
CC1=C(C(N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(O)=O
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| InChI |
InChI=1S/C15H11ClFN3O2S/c1-7-11(15(21)22)12(9-3-2-8(17)6-10(9)16)20-13(19-7)14-18-4-5-23-14/h2-6,12H,1H3,(H,19,20)(H,21,22)
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| InChIKey |
PJGMKMWELQALRV-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