General Information of the Compound
| Compound ID |
CP0396091
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| Compound Name |
1-[[6-chloro-5-(hydroxymethyl)pyridin-3-yl]methyl]-4-(4-cyanophenyl)-5-methylpyrrole-3-carbonitrile
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| Structure |
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| Formula |
C20H15ClN4O
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| Molecular Weight |
362.82
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| Canonical SMILES |
Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H15ClN4O/c1-13-19(16-4-2-14(7-22)3-5-16)18(8-23)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3
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| InChIKey |
HXNGLJMNMVEDSS-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