General Information of the Compound
| Compound ID |
CP0047520
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| Compound Name |
6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-2-carboxylic acid
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| Synonyms |
6-[3-(1-adamantyl)-4-hydroxyphenyl]-2-naphthalene carboxylic acid
AHPN
CD 437
CD437
PMID27336223-Compound-12
Ro 47-2077
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| Structure |
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| Formula |
C27H26O3
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| Molecular Weight |
398.502
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| Canonical SMILES |
OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
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| InChIKey |
LDGIHZJOIQSHPB-UHFFFAOYSA-N
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| CAS |
125316-60-1
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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-12 )
| Drug Name | PMID27336223-Compound-12 | ||
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