General Information of the Compound
| Compound ID |
CP0490387
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| Compound Name |
2,2,2-trifluoroethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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| Structure |
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| Formula |
C14H11Cl2F3O2
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| Molecular Weight |
339.14
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| Canonical SMILES |
FC(F)(F)COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C14H11Cl2F3O2/c15-11-5-4-8(6-12(11)16)9-2-1-3-10(9)13(20)21-7-14(17,18)19/h4-6H,1-3,7H2
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| InChIKey |
RLZDYYKLMOPCMU-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