General Information of the Compound
| Compound ID |
CP0519549
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| Compound Name |
3-O-ethyl 5-O-[[1-(2-phenylethyl)triazol-4-yl]methyl] 4-[3-(4-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 |
C32H32BrN5O5
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| Molecular Weight |
646.542
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1c1c(C)onc1-c1ccc(Br)cc1)C(=O)OCc1cn(CCc2ccccc2)nn1
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| InChI |
InChI=1S/C32H32BrN5O5/c1-5-41-31(39)26-19(2)34-20(3)27(29(26)28-21(4)43-36-30(28)23-11-13-24(33)14-12-23)32(40)42-18-25-17-38(37-35-25)16-15-22-9-7-6-8-10-22/h6-14,17,29,34H,5,15-16,18H2,1-4H3
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| InChIKey |
KFBQDAJEXXORSH-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