General Information of the Compound
| Compound ID |
CP0535787
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| Compound Name |
diethyl 4-[3-(3-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C23H25BrN2O5
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| Molecular Weight |
489.366
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1c1c(C)onc1-c1cccc(Br)c1)C(=O)OCC
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| InChI |
InChI=1S/C23H25BrN2O5/c1-6-29-22(27)17-12(3)25-13(4)18(23(28)30-7-2)20(17)19-14(5)31-26-21(19)15-9-8-10-16(24)11-15/h8-11,20,25H,6-7H2,1-5H3
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| InChIKey |
RJHIEGFHLJUYSA-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