General Information of the Compound
| Compound ID |
CP0235290
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| Compound Name |
4-(N-benzyl-4-nitroanilino)-N,N-dibutyl-1-methylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C27H34N4O3
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| Molecular Weight |
462.594
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| Canonical SMILES |
CCCCN(CCCC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C27H34N4O3/c1-4-6-17-29(18-7-5-2)27(32)26-19-25(21-28(26)3)30(20-22-11-9-8-10-12-22)23-13-15-24(16-14-23)31(33)34/h8-16,19,21H,4-7,17-18,20H2,1-3H3
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| InChIKey |
OYYXRDMJCDQFME-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