General Information of the Compound
| Compound ID |
CP0414098
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| Compound Name |
4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(carboxymethoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C29H31NO5
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| Molecular Weight |
473.569
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| Canonical SMILES |
CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCC(O)=O)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H31NO5/c1-29(2,3)24-17-22(10-12-25(24)30-14-4-5-15-30)23-16-21(11-13-26(23)35-18-27(31)32)19-6-8-20(9-7-19)28(33)34/h6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,31,32)(H,33,34)
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| InChIKey |
RGGNOUISHNFNHZ-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