General Information of the Compound
| Compound ID |
CP0414050
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,2,4-triazol-1-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C20H22BrFN6O3
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| Molecular Weight |
493.337
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1cncn1
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| InChI |
InChI=1S/C20H22BrFN6O3/c1-2-31-19(29)17-16(10-27-5-7-30-8-6-27)25-20(28-12-23-11-24-28)26-18(17)14-4-3-13(22)9-15(14)21/h3-4,9,11-12,18H,2,5-8,10H2,1H3,(H,25,26)
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| InChIKey |
YFXZMKFNFADEMD-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