General Information of the Compound
| Compound ID |
CP0194422
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| Compound Name |
2-ethyl-4-nitro-5-(phenylsulfonyl)-1-propyl-1H-imidazole
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| Structure |
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| Formula |
C14H17N3O4S
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| Molecular Weight |
323.374
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| Canonical SMILES |
CCCn1c(CC)nc(c1S(=O)(=O)c1ccccc1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H17N3O4S/c1-3-10-16-12(4-2)15-13(17(18)19)14(16)22(20,21)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
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| InChIKey |
OOPQTTHZIVMBFO-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2