General Information of the Compound
| Compound ID |
CP0169826
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| Compound Name |
4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C19H17N3O4
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| Molecular Weight |
351.362
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| Canonical SMILES |
Cn1cc(cc1C(O)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H17N3O4/c1-20-13-17(11-18(20)19(23)24)21(12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)22(25)26/h2-11,13H,12H2,1H3,(H,23,24)
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| InChIKey |
UYZMGCAMZWVJGZ-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