General Information of the Compound
| Compound ID |
CP0957233
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| Compound Name |
N-(4-(4,4-dimethylpiperidin-1-ylsulfonyl)phenyl)-3-nitrobenzamide
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| Structure |
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| Formula |
C20H23N3O5S
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| Molecular Weight |
417.487
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| Canonical SMILES |
CC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1
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| InChI |
InChI=1S/C20H23N3O5S/c1-20(2)10-12-22(13-11-20)29(27,28)18-8-6-16(7-9-18)21-19(24)15-4-3-5-17(14-15)23(25)26/h3-9,14H,10-13H2,1-2H3,(H,21,24)
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| InChIKey |
ROAASNQMKDEPLP-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
Protein ID: PT06113, DNA damage-inducible transcript 3 protein
Protein ID: PT06096, X-box-binding protein 1