General Information of the Compound
| Compound ID |
CP0109669
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| Compound Name |
3-(2-(2-(benzyloxy)-5-chlorophenyl)cyclopent-1-enyl)benzoic acid
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| Structure |
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| Formula |
C25H21ClO3
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| Molecular Weight |
404.893
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| Canonical SMILES |
OC(=O)c1cccc(c1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H21ClO3/c26-20-12-13-24(29-16-17-6-2-1-3-7-17)23(15-20)22-11-5-10-21(22)18-8-4-9-19(14-18)25(27)28/h1-4,6-9,12-15H,5,10-11,16H2,(H,27,28)
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| InChIKey |
BHIIXYUVEXKWSO-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