General Information of the Compound
| Compound ID |
CP0849122
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| Compound Name |
N-(4-(4,4-dimethylpiperidin-1-ylsulfonyl)phenyl)-1-methyl-5-nitro-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C18H23N5O5S
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| Molecular Weight |
421.479
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| Canonical SMILES |
Cn1c([N+](=O)[O-])cnc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)cc1
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| InChI |
InChI=1S/C18H23N5O5S/c1-18(2)8-10-22(11-9-18)29(27,28)14-6-4-13(5-7-14)20-17(24)16-19-12-15(21(16)3)23(25)26/h4-7,12H,8-11H2,1-3H3,(H,20,24)
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| InChIKey |
JGCSJCQQZDNHMR-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