General Information of the Compound
| Compound ID |
CP0425735
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| Compound Name |
3-chloro-N-(1,1-diketo-2,3-dihydrothiophen-3-yl)benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C13H10ClNO3S2
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| Molecular Weight |
327.814
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| Canonical SMILES |
Clc1c(sc2ccccc12)C(=O)NC1CS(=O)(=O)C=C1
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| InChI |
InChI=1S/C13H10ClNO3S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(16)15-8-5-6-20(17,18)7-8/h1-6,8H,7H2,(H,15,16)
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| InChIKey |
QFAZQWQCOSKELB-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2