General Information of the Compound
| Compound ID |
CP0398338
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| Compound Name |
ethyl 1-(cyclohexylmethyl)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
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| Structure |
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| Formula |
C22H28N2O4
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| Molecular Weight |
384.476
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| Canonical SMILES |
CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H28N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h10-13,17H,4-9,14H2,1-3H3
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| InChIKey |
WVFUTQGXQMYXGX-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