General Information of the Compound
| Compound ID |
CP0392435
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| Compound Name |
ethyl 1-benzoyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
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| Structure |
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| Formula |
C22H20N2O5
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| Molecular Weight |
392.411
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| Canonical SMILES |
CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H20N2O5/c1-4-29-22(26)20-15(3)23(21(25)17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)24(27)28/h5-13H,4H2,1-3H3
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| InChIKey |
MVNIYTMIQYQCPO-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