General Information of the Compound
| Compound ID |
CP0390359
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| Compound Name |
1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C20H18N2O4
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| Molecular Weight |
350.374
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| Canonical SMILES |
Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H18N2O4/c1-13-18(16-8-10-17(11-9-16)22(25)26)19(20(23)24)14(2)21(13)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)
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| InChIKey |
QCONXDTVGZBBCZ-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