General Information of the Compound
| Compound ID |
CP0377375
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| Compound Name |
4-mesyl-3-nitro-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester
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| Structure |
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| Formula |
C15H14N2O7S2
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| Molecular Weight |
398.418
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NCc1cccs1
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| InChI |
InChI=1S/C15H14N2O7S2/c1-26(22,23)13-5-4-10(7-12(13)17(20)21)15(19)24-9-14(18)16-8-11-3-2-6-25-11/h2-7H,8-9H2,1H3,(H,16,18)
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| InChIKey |
UMPSIUDPKJJLSG-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8