General Information of the Compound
| Compound ID |
CP0297405
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| Compound Name |
MLS000707180
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| Structure |
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| Formula |
C13H12ClN3O4S2
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| Molecular Weight |
373.843
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C13H12ClN3O4S2/c14-9-1-3-10(4-2-9)23(19,20)13-11(15-16-22-13)12(18)17-5-7-21-8-6-17/h1-4H,5-8H2
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| InChIKey |
GQDWBQKIPREMOP-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: PT06124, Paired box protein Pax-8