General Information of the Compound
| Compound ID |
CP0061845
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| Compound Name |
4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline
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| Structure |
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| Formula |
C22H18Cl2N2
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| Molecular Weight |
381.306
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl
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| InChI |
InChI=1S/C22H18Cl2N2/c1-14-21(18-7-3-5-9-20(18)25-14)22(17-6-2-4-8-19(17)24)26-16-12-10-15(23)11-13-16/h2-13,22,25-26H,1H3
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| InChIKey |
FYALZEQZMVNQCR-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: PT02378, Vitamin D3 receptor