General Information of the Compound
| Compound ID |
CP0423716
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| Compound Name |
4-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C18H19NO2
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| Molecular Weight |
281.355
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| Canonical SMILES |
CN(Cc1ccc(cc1)C(O)=O)c1ccc2CCCc2c1
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| InChI |
InChI=1S/C18H19NO2/c1-19(12-13-5-7-15(8-6-13)18(20)21)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3,(H,20,21)
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| InChIKey |
LXIFHRQYJXNBEP-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