General Information of the Compound
| Compound ID |
CP0064482
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| Compound Name |
MLS001121514
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| Structure |
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| Formula |
C15H17BrN4O3S2
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| Molecular Weight |
445.364
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| Canonical SMILES |
Brc1cccc(c1)C(=O)Nc1nnc(s1)S(=O)(=O)N1CCCCCC1
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| InChI |
InChI=1S/C15H17BrN4O3S2/c16-12-7-5-6-11(10-12)13(21)17-14-18-19-15(24-14)25(22,23)20-8-3-1-2-4-9-20/h5-7,10H,1-4,8-9H2,(H,17,18,21)
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| InChIKey |
ZIPKOOJBTOGOMO-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