General Information of the Compound
| Compound ID |
CP0394535
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-(piperazin-1-ylmethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C21H23ClFN5O2S
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| Molecular Weight |
463.966
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCNCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
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| InChI |
InChI=1S/C21H23ClFN5O2S/c1-2-30-21(29)17-16(12-28-8-5-24-6-9-28)26-19(20-25-7-10-31-20)27-18(17)14-4-3-13(23)11-15(14)22/h3-4,7,10-11,18,24H,2,5-6,8-9,12H2,1H3,(H,26,27)
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| InChIKey |
BRYYFTFRGRHEEG-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