General Information of the Compound
| Compound ID |
CP0910317
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| Compound Name |
N-(4-(4,4-dimethylpiperidin-1-ylsulfonyl)phenyl)-5-nitrofuran-2-carboxamide
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| Structure |
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| Formula |
C18H21N3O6S
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| Molecular Weight |
407.448
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| Canonical SMILES |
CC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1
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| InChI |
InChI=1S/C18H21N3O6S/c1-18(2)9-11-20(12-10-18)28(25,26)14-5-3-13(4-6-14)19-17(22)15-7-8-16(27-15)21(23)24/h3-8H,9-12H2,1-2H3,(H,19,22)
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| InChIKey |
YIVPYLUGTBZUBI-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