General Information of the Compound
| Compound ID |
CP0371942
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| Compound Name |
4-[4-(5-methylhexoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C20H24O3
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| Molecular Weight |
312.409
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| Canonical SMILES |
CC(C)CCCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H24O3/c1-15(2)5-3-4-14-23-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(21)22/h6-13,15H,3-5,14H2,1-2H3,(H,21,22)
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| InChIKey |
KAMPGBXWQOLHJJ-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
Protein ID: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta