General Information of the Compound
| Compound ID |
CP0510797
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-2-(5-methoxy-1,3-thiazol-2-yl)-6-(morpholin-4-ylmethyl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C22H24BrFN4O4S
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| Molecular Weight |
539.427
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1
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| InChI |
InChI=1S/C22H24BrFN4O4S/c1-3-32-22(29)18-16(12-28-6-8-31-9-7-28)26-20(21-25-11-17(30-2)33-21)27-19(18)14-5-4-13(24)10-15(14)23/h4-5,10-11,19H,3,6-9,12H2,1-2H3,(H,26,27)
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| InChIKey |
MGPACXDLGFBCJB-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
Protein ID: PT00295, Capsid protein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2