General Information of the Compound
| Compound ID |
CP0883722
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| Compound Name |
3-(5-((5-tert-butyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yloxy)methyl)-4-methyl-4H-1,2,4-triazol-3-ylthio)propanoic acid
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| Structure |
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| Formula |
C19H27N3O3S2
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| Molecular Weight |
409.577
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| Canonical SMILES |
Cn1c(COc2cc3c(s2)CCC(C(C)(C)C)C3)nnc1SCCC(=O)O
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| InChI |
InChI=1S/C19H27N3O3S2/c1-19(2,3)13-5-6-14-12(9-13)10-17(27-14)25-11-15-20-21-18(22(15)4)26-8-7-16(23)24/h10,13H,5-9,11H2,1-4H3,(H,23,24)
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| InChIKey |
KUKJPKZWBNVETG-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma