General Information of the Compound
| Compound ID |
CP0851453
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| Compound Name |
SID17507284
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| Structure |
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| Formula |
C22H16BrN3O3S
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| Molecular Weight |
482.359
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| Canonical SMILES |
O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2cnc3ccccc3c2)c1
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| InChI |
InChI=1S/C22H16BrN3O3S/c23-17-8-10-18(11-9-17)25-22(27)16-5-3-6-20(13-16)30(28,29)26-19-12-15-4-1-2-7-21(15)24-14-19/h1-14,26H,(H,25,27)
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| InChIKey |
ILJZPYKOBIVELE-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