General Information of the Compound
| Compound ID |
CP0879751
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| Compound Name |
SID49671892
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| Structure |
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| Formula |
C13H15NO3S2
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| Molecular Weight |
297.401
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| Canonical SMILES |
COc1ccc(CCN2C(=O)CSC2=S)cc1OC
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| InChI |
InChI=1S/C13H15NO3S2/c1-16-10-4-3-9(7-11(10)17-2)5-6-14-12(15)8-19-13(14)18/h3-4,7H,5-6,8H2,1-2H3
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| InChIKey |
LZSZXGHWVPFNKT-UHFFFAOYSA-N
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| CAS |
23522-20-5
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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