General Information of the Compound
| Compound ID |
CP0541293
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-(morpholin-4-ylmethyl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C23H22BrF3N4O3
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| Molecular Weight |
539.352
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(F)cc1F
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| InChI |
InChI=1S/C23H22BrF3N4O3/c1-2-34-23(32)19-18(12-31-5-7-33-8-6-31)29-22(21-17(27)10-14(26)11-28-21)30-20(19)15-4-3-13(25)9-16(15)24/h3-4,9-11,20H,2,5-8,12H2,1H3,(H,29,30)
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| InChIKey |
BLXVUWQZCCZRCQ-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