General Information of the Compound
| Compound ID |
CP0346545
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| Compound Name |
MLS000119027
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| Structure |
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| Formula |
C16H14BrN3OS
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| Molecular Weight |
376.279
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| Canonical SMILES |
Brc1cnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1
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| InChI |
InChI=1S/C16H14BrN3OS/c17-14-11-18-16(22-14)19-15(21)13(20-8-4-5-9-20)10-12-6-2-1-3-7-12/h1-9,11,13H,10H2,(H,18,19,21)
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| InChIKey |
PTAKBWDNPCFDBB-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: PT06101, Latent membrane protein 1