General Information of the Compound
| Compound ID |
CP0907831
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| Compound Name |
5-(5,5-Difluoro-2,3-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-2-methylphenol
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| Structure |
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| Formula |
C17H19F2NO
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| Molecular Weight |
291.341
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| Canonical SMILES |
Cc1ccc(-n2c(C)c(C)c3c2CCC(F)(F)C3)cc1O
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| InChI |
InChI=1S/C17H19F2NO/c1-10-4-5-13(8-16(10)21)20-12(3)11(2)14-9-17(18,19)7-6-15(14)20/h4-5,8,21H,6-7,9H2,1-3H3
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| InChIKey |
WEIJTELXCMSLSZ-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