General Information of the Compound
| Compound ID |
CP0392434
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| Compound Name |
1-[(6-chloropyridin-3-yl)methyl]-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carbonitrile
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| Structure |
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| Formula |
C20H15ClN4
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| Molecular Weight |
346.821
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| Canonical SMILES |
Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H15ClN4/c1-13-18(10-23)20(17-6-3-15(9-22)4-7-17)14(2)25(13)12-16-5-8-19(21)24-11-16/h3-8,11H,12H2,1-2H3
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| InChIKey |
DPXPYXUNICXZGV-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: PT00894, Androgen receptor
Cell-based Assay