General Information of the Compound
| Compound ID |
CP0174891
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| Compound Name |
3,4-dimethoxy-N-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline
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| Structure |
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| Formula |
C25H26N2O3
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| Molecular Weight |
402.494
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| Canonical SMILES |
COc1ccc(cc1)C(Nc1ccc(OC)c(OC)c1)c1c(C)[nH]c2ccccc12
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| InChI |
InChI=1S/C25H26N2O3/c1-16-24(20-7-5-6-8-21(20)26-16)25(17-9-12-19(28-2)13-10-17)27-18-11-14-22(29-3)23(15-18)30-4/h5-15,25-27H,1-4H3
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| InChIKey |
CBUUIRGCKAEAJC-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: PT02378, Vitamin D3 receptor