General Information of the Compound
| Compound ID |
CP0403151
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| Compound Name |
4-[(E)-2-(3,3-Dimethyl-2,3-dihydro-benzo[b]thiophen-5-yl)-propenyl]-benzoic acid
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| Structure |
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| Formula |
C20H20O2S
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| Molecular Weight |
324.445
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| Canonical SMILES |
C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2SCC(C)(C)c2c1
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| InChI |
InChI=1S/C20H20O2S/c1-13(10-14-4-6-15(7-5-14)19(21)22)16-8-9-18-17(11-16)20(2,3)12-23-18/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+
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| InChIKey |
JPFUTCKBWPEHMJ-JLHYYAGUSA-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