General Information of the Compound
| Compound ID |
CP0409751
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| Compound Name |
(E)-3-[3-(2-Butoxy-3,5-di-tert-butyl-phenyl)-1H-indol-5-yl]-but-2-enoic acid
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| Structure |
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| Formula |
C30H39NO3
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| Molecular Weight |
461.646
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| Canonical SMILES |
CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)-c1c[nH]c2ccc(cc12)C(\C)=C\C(O)=O
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| InChI |
InChI=1S/C30H39NO3/c1-9-10-13-34-28-23(16-21(29(3,4)5)17-25(28)30(6,7)8)24-18-31-26-12-11-20(15-22(24)26)19(2)14-27(32)33/h11-12,14-18,31H,9-10,13H2,1-8H3,(H,32,33)/b19-14+
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| InChIKey |
CATUIEOZAVGOQU-XMHGGMMESA-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: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha