General Information of the Compound
| Compound ID |
CP0307774
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| Compound Name |
[4-(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)c1ccc(cc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C24H23N3O3/c28-24(25-16-4-5-17-25)20-8-10-21(11-9-20)26(18-19-6-2-1-3-7-19)22-12-14-23(15-13-22)27(29)30/h1-3,6-15H,4-5,16-18H2
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| InChIKey |
NFFQZQCEWIKZPM-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