General Information of the Compound
| Compound ID |
CP0806169
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| Compound Name |
4-[6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-pyridin-2-yl]-benzoic acid
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| Structure |
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| Formula |
C27H29NO2
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| Molecular Weight |
399.534
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| Canonical SMILES |
Cc1cc2c(cc1-c1cccc(-c3ccc(C(=O)O)cc3)n1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C27H29NO2/c1-17-15-21-22(27(4,5)14-13-26(21,2)3)16-20(17)24-8-6-7-23(28-24)18-9-11-19(12-10-18)25(29)30/h6-12,15-16H,13-14H2,1-5H3,(H,29,30)
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| InChIKey |
ACSZYKRTELLCHB-UHFFFAOYSA-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