General Information of the Compound
| Compound ID |
CP0488695
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| Compound Name |
MLS001221393
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| Structure |
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| Formula |
C14H11NO3S2
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| Molecular Weight |
305.38
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| Canonical SMILES |
Oc1ccc(NS(=O)(=O)c2cccs2)c2ccccc12
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| InChI |
InChI=1S/C14H11NO3S2/c16-13-8-7-12(10-4-1-2-5-11(10)13)15-20(17,18)14-6-3-9-19-14/h1-9,15-16H
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| InChIKey |
PGMYLDPZRWWFCZ-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01381, Serine/threonine-protein kinase B-raf