General Information of the Compound
| Compound ID |
CP0317471
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| Compound Name |
ethyl 4-(N-benzyl-4-nitroanilino)-1-methylpyrrole-2-carboxylate
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H21N3O4/c1-3-28-21(25)20-13-19(15-22(20)2)23(14-16-7-5-4-6-8-16)17-9-11-18(12-10-17)24(26)27/h4-13,15H,3,14H2,1-2H3
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| InChIKey |
WISGRSKPLFFILZ-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