General Information of the Compound
| Compound ID |
CP0493612
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| Compound Name |
[1-methyl-4-(N-methyl-4-nitroanilino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C17H20N4O3
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| Molecular Weight |
328.372
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| Canonical SMILES |
CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H20N4O3/c1-18-12-15(11-16(18)17(22)20-9-3-4-10-20)19(2)13-5-7-14(8-6-13)21(23)24/h5-8,11-12H,3-4,9-10H2,1-2H3
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| InChIKey |
VKQSLUCATGFGKD-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