General Information of the Compound
| Compound ID |
CP0398339
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| Compound Name |
methyl 1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
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| Structure |
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| Formula |
C21H20N2O4
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| Molecular Weight |
364.401
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| Canonical SMILES |
COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H20N2O4/c1-14-19(17-9-11-18(12-10-17)23(25)26)20(21(24)27-3)15(2)22(14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
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| InChIKey |
LXWRILRNBOXLJS-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