General Information of the Compound
| Compound ID |
CP0474510
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| Compound Name |
4-[4-(2-butoxyethoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C19H22O4
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| Molecular Weight |
314.381
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| Canonical SMILES |
CCCCOCCOc1ccc(cc1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C19H22O4/c1-2-3-12-22-13-14-23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19(20)21/h4-11H,2-3,12-14H2,1H3,(H,20,21)
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| InChIKey |
YKIDBVZOFXTIBY-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