General Information of the Compound
| Compound ID |
CP0493334
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| Compound Name |
4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-benzoic acid
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| Structure |
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| Formula |
C21H22O3
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| Molecular Weight |
322.404
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| Canonical SMILES |
C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCCC(C)(C)c2c1
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| InChI |
InChI=1S/C21H22O3/c1-14(12-15-4-6-16(7-5-15)20(22)23)17-8-9-19-18(13-17)21(2,3)10-11-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/b14-12+
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| InChIKey |
DFQLRIXABZAEHT-WYMLVPIESA-N
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| CAS |
88579-29-7
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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