General Information of the Compound
| Compound ID |
CP0454124
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| Compound Name |
cyclohexyl 2-(3,4-dichlorophenyl)cyclopentene-1-carboxylate
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| Structure |
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| Formula |
C18H20Cl2O2
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| Molecular Weight |
339.262
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OC1CCCCC1
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| InChI |
InChI=1S/C18H20Cl2O2/c19-16-10-9-12(11-17(16)20)14-7-4-8-15(14)18(21)22-13-5-2-1-3-6-13/h9-11,13H,1-8H2
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| InChIKey |
ODQZUOPUJDCECI-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