General Information of the Compound
| Compound ID |
CP0387569
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| Compound Name |
4-[3-[4-(diethylamino)-3-ethylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
CCN(CC)c1ccc(cc1CC)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H33NO4/c1-4-20-18-24(12-14-26(20)29(5-2)6-3)25-19-23(13-15-27(25)33-17-7-16-30)21-8-10-22(11-9-21)28(31)32/h8-15,18-19,30H,4-7,16-17H2,1-3H3,(H,31,32)
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| InChIKey |
BQUVDAXXESUSBC-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
Protein ID: PT01806, Retinoic acid receptor gamma