General Information of the Compound
| Compound ID |
CP0274814
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| Compound Name |
4-(N-benzyl-4-nitroanilino)-N,N-diethyl-1-methylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
CCN(CC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H26N4O3/c1-4-25(5-2)23(28)22-15-21(17-24(22)3)26(16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)27(29)30/h6-15,17H,4-5,16H2,1-3H3
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| InChIKey |
OOKTXTBYOYCHCZ-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