General Information of the Compound
| Compound ID |
CP0392738
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| Compound Name |
ethyl 1-(benzenesulfonyl)-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate
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| Structure |
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| Formula |
C21H20N2O6S
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| Molecular Weight |
428.466
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| Canonical SMILES |
CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H20N2O6S/c1-4-29-21(24)20-15(3)22(30(27,28)18-8-6-5-7-9-18)14(2)19(20)16-10-12-17(13-11-16)23(25)26/h5-13H,4H2,1-3H3
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| InChIKey |
HGLOBLYGOSCYIW-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