General Information of the Compound
| Compound ID |
CP0848375
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| Compound Name |
[3''-tert-butyl-4-carboxy-4'-(3-hydroxypropyl)-[1,1';3',1'']terphenyl-4''-yl]diethylaminehydrochloride
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| Structure |
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| Formula |
C30H38ClNO3
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| Molecular Weight |
496.091
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| Canonical SMILES |
CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2CCCO)cc1C(C)(C)C.Cl
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| InChI |
InChI=1S/C30H37NO3.ClH/c1-6-31(7-2)28-17-16-25(20-27(28)30(3,4)5)26-19-24(15-12-22(26)9-8-18-32)21-10-13-23(14-11-21)29(33)34;/h10-17,19-20,32H,6-9,18H2,1-5H3,(H,33,34);1H
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| InChIKey |
XPDSFZHGFFIXFG-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