General Information of the Compound
| Compound ID |
CP0449227
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| Compound Name |
4-[3-(2,5-dioxopyrrolidin-1-yl)-4-[4-(3-nitrophenyl)phenoxy]butyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C29H29N3O6
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| Molecular Weight |
515.566
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| Canonical SMILES |
CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCC2=O)cc1
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| InChI |
InChI=1S/C29H29N3O6/c1-30(2)29(35)22-9-6-20(7-10-22)8-13-25(31-27(33)16-17-28(31)34)19-38-26-14-11-21(12-15-26)23-4-3-5-24(18-23)32(36)37/h3-7,9-12,14-15,18,25H,8,13,16-17,19H2,1-2H3
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| InChIKey |
FICBVOCIAZKXSG-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