General Information of the Compound
| Compound ID |
CP0541444
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-2-(1-methyl-1,2,4-triazol-3-yl)-6-(morpholin-4-ylmethyl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C21H24BrFN6O3
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| Molecular Weight |
507.364
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncn(C)n1
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| InChI |
InChI=1S/C21H24BrFN6O3/c1-3-32-21(30)17-16(11-29-6-8-31-9-7-29)25-20(19-24-12-28(2)27-19)26-18(17)14-5-4-13(23)10-15(14)22/h4-5,10,12,18H,3,6-9,11H2,1-2H3,(H,25,26)
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| InChIKey |
JLUDHAXNXYSICE-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