General Information of the Compound
| Compound ID |
CP0718144
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| Compound Name |
4-[3-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-4,5-dihydro-isoxazol-5-yl]-benzoic acid
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| Structure |
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| Formula |
C25H29NO3
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| Molecular Weight |
391.511
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| Canonical SMILES |
Cc1cc2c(cc1C1=NOC(c3ccc(C(=O)O)cc3)C1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C25H29NO3/c1-15-12-19-20(25(4,5)11-10-24(19,2)3)13-18(15)21-14-22(29-26-21)16-6-8-17(9-7-16)23(27)28/h6-9,12-13,22H,10-11,14H2,1-5H3,(H,27,28)
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| InChIKey |
BYGCKDZWHHOZMY-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