General Information of the Compound
| Compound ID |
CP0409040
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| Compound Name |
2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
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| Synonyms |
ACA
ACAA
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| Structure |
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| Formula |
C21H23NO3
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| Molecular Weight |
337.419
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| Canonical SMILES |
CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1
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| InChI |
InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
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| InChIKey |
GAMRBCZMOOMBSQ-CCEZHUSRSA-N
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| CAS |
110683-10-8
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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
Protein ID: PT04908, Transient receptor potential cation channel subfamily M member 2
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Clinical Information about the Compound
Drug 1 ( ACAA )
| Drug Name | ACAA | ||
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