General Information of the Compound
| Compound ID |
CP0514145
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| Compound Name |
4-[3-(2,6-dioxopiperidin-1-yl)-4-[4-(3-nitrophenyl)phenoxy]butyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C30H31N3O6
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| Molecular Weight |
529.593
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| Canonical SMILES |
CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCCC2=O)cc1
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| InChI |
InChI=1S/C30H31N3O6/c1-31(2)30(36)23-12-9-21(10-13-23)11-16-26(32-28(34)7-4-8-29(32)35)20-39-27-17-14-22(15-18-27)24-5-3-6-25(19-24)33(37)38/h3,5-6,9-10,12-15,17-19,26H,4,7-8,11,16,20H2,1-2H3
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| InChIKey |
DXMQNPLFFURGAV-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