General Information of the Compound
| Compound ID |
CP0372864
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| Compound Name |
(2E,4E,6E)-7-(3,3-Dimethyl-2,3-dihydro-benzo[b]thiophen-5-yl)-3-methyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C19H22O2S
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| Molecular Weight |
314.45
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| Canonical SMILES |
C\C(\C=C\C=C(/C)c1ccc2SCC(C)(C)c2c1)=C/C(O)=O
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| InChI |
InChI=1S/C19H22O2S/c1-13(10-18(20)21)6-5-7-14(2)15-8-9-17-16(11-15)19(3,4)12-22-17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-10+,14-7+
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| InChIKey |
LWOPJLGICWVJGG-SEBRYRKESA-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
Protein ID: PT01930, Retinoic acid receptor RXR-alpha