General Information of the Compound
| Compound ID |
CP0349972
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| Compound Name |
2-(4-cyano-2-cyclohexylphenoxy)acetic acid
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| Synonyms |
(4-Cyano-2-cyclohexylphenoxy)acetic acid
2-(4-cyano-2-cyclohexylphenoxy)acetic acid
BDBM50213915
CHEMBL245700
SCHEMBL4881986
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| Structure |
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| Formula |
C15H17NO3
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| Molecular Weight |
259.305
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| Canonical SMILES |
OC(=O)COc1ccc(cc1C1CCCCC1)C#N
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| InChI |
InChI=1S/C15H17NO3/c16-9-11-6-7-14(19-10-15(17)18)13(8-11)12-4-2-1-3-5-12/h6-8,12H,1-5,10H2,(H,17,18)
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| InChIKey |
YLYPWLBTNPRZEM-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
Clinical Information about the Compound