General Information of the Compound
| Compound ID |
CP0278383
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| Compound Name |
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-3-pyridinesulfonamide
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| Structure |
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| Formula |
C13H8BrF6N3O2S
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| Molecular Weight |
464.185
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| Canonical SMILES |
Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C13H8BrF6N3O2S/c14-8-4-10(11(21)22-5-8)26(24,25)23-9-2-6(12(15,16)17)1-7(3-9)13(18,19)20/h1-5,23H,(H2,21,22)
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| InChIKey |
XHLHBFYLAOFYRN-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: PT06172, Mothers against decapentaplegic homolog 3