General Information of the Compound
| Compound ID |
CP0476105
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| Compound Name |
4-[3-[4-(diethylamino)phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C26H29NO4
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| Molecular Weight |
419.521
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H29NO4/c1-3-27(4-2)23-13-10-20(11-14-23)24-18-22(12-15-25(24)31-17-5-16-28)19-6-8-21(9-7-19)26(29)30/h6-15,18,28H,3-5,16-17H2,1-2H3,(H,29,30)
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| InChIKey |
OXTQOESTHFNSTI-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