General Information of the Compound
| Compound ID |
CP0167600
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| Compound Name |
[3-(N-benzyl-4-nitroanilino)phenyl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1cccc(c1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C24H23N3O3/c28-24(25-15-4-5-16-25)20-9-6-10-23(17-20)26(18-19-7-2-1-3-8-19)21-11-13-22(14-12-21)27(29)30/h1-3,6-14,17H,4-5,15-16,18H2
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| InChIKey |
CLMJUASNOHCNHM-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