General Information of the Compound
| Compound ID |
CP0832852
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| Compound Name |
6-[Hydrazono-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C26H28N2O2
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| Molecular Weight |
400.522
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(/C(=N/N)c3ccc4cc(C(=O)O)ccc4c3)ccc21
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| InChI |
InChI=1S/C26H28N2O2/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(28-27)18-7-5-17-14-20(24(29)30)8-6-16(17)13-18/h5-10,13-15H,11-12,27H2,1-4H3,(H,29,30)/b28-23+
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| InChIKey |
BZKPZJRFQBJMJF-WEMUOSSPSA-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