General Information of the Compound
| Compound ID |
CP0070402
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| Compound Name |
3,4-dimethoxy-N-[(2-methyl-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]aniline
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| Structure |
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| Formula |
C25H23F3N2O2
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| Molecular Weight |
440.465
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| Canonical SMILES |
COc1ccc(NC(c2c(C)[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C25H23F3N2O2/c1-15-23(19-6-4-5-7-20(19)29-15)24(16-8-10-17(11-9-16)25(26,27)28)30-18-12-13-21(31-2)22(14-18)32-3/h4-14,24,29-30H,1-3H3
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| InChIKey |
ZLBSKWHEUQSLOG-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT02378, Vitamin D3 receptor