General Information of the Compound
| Compound ID |
CP0364456
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| Compound Name |
4-chloro-N-[(2-chlorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methyl]aniline
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| Structure |
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| Formula |
C23H20Cl2N2O
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| Molecular Weight |
411.332
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| Canonical SMILES |
COc1ccc2c(C(Nc3ccc(Cl)cc3)c3ccccc3Cl)c(C)[nH]c2c1
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| InChI |
InChI=1S/C23H20Cl2N2O/c1-14-22(19-12-11-17(28-2)13-21(19)26-14)23(18-5-3-4-6-20(18)25)27-16-9-7-15(24)8-10-16/h3-13,23,26-27H,1-2H3
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| InChIKey |
KHELNPXGIRCYJN-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: PT00889, Estrogen receptor beta
Protein ID: PT02378, Vitamin D3 receptor