General Information of the Compound
| Compound ID |
CP0076822
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| Compound Name |
4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene-7-carboxamido)benzoic acid
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| Synonyms |
AM580
CD-336
PMID27336223-Compound-5
Ro 40-6055
Ro406055
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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| InChIKey |
SZWKGOZKRMMLAJ-UHFFFAOYSA-N
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| CAS |
102121-60-8
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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
Clinical Information about the Compound
Drug 1 ( PMID27336223-Compound-5 )
| Drug Name | PMID27336223-Compound-5 | ||
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| Company | CORNELL UNIVERSITY | ||
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