General Information of the Compound
| Compound ID |
CP0864353
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| Compound Name |
3''-tert-butyl-4''-diethylamino-4'-(2,3-dihydroxypropyl)-[1,1';3',1'']terphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C30H37NO4
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| Molecular Weight |
475.629
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| Canonical SMILES |
CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2CC(O)CO)cc1C(C)(C)C
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| InChI |
InChI=1S/C30H37NO4/c1-6-31(7-2)28-15-14-24(18-27(28)30(3,4)5)26-17-22(12-13-23(26)16-25(33)19-32)20-8-10-21(11-9-20)29(34)35/h8-15,17-18,25,32-33H,6-7,16,19H2,1-5H3,(H,34,35)
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| InChIKey |
JRPPASMXPSXRKV-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