General Information of the Compound
| Compound ID |
CP0421523
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| Compound Name |
N-[(2-chlorophenyl)-(2,6-dimethyl-1H-indol-3-yl)methyl]-3,4-dimethoxyaniline
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| Structure |
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| Formula |
C25H25ClN2O2
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| Molecular Weight |
420.94
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| Canonical SMILES |
COc1ccc(NC(c2c(C)[nH]c3cc(C)ccc23)c2ccccc2Cl)cc1OC
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| InChI |
InChI=1S/C25H25ClN2O2/c1-15-9-11-19-21(13-15)27-16(2)24(19)25(18-7-5-6-8-20(18)26)28-17-10-12-22(29-3)23(14-17)30-4/h5-14,25,27-28H,1-4H3
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| InChIKey |
MECVKCZZYMNOSX-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: PT01591, Thyroid hormone receptor alpha
Protein ID: PT02378, Vitamin D3 receptor