General Information of the Compound
| Compound ID |
CP0288761
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| Compound Name |
[4-(N-ethyl-4-nitroanilino)-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C18H22N4O3
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| Molecular Weight |
342.399
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| Canonical SMILES |
CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H22N4O3/c1-3-21(14-6-8-15(9-7-14)22(24)25)16-12-17(19(2)13-16)18(23)20-10-4-5-11-20/h6-9,12-13H,3-5,10-11H2,1-2H3
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| InChIKey |
BHLHFOONNXHUKO-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