General Information of the Compound
| Compound ID |
CP0728243
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| Compound Name |
SID26659333
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| Structure |
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| Formula |
C16H17NO4S
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| Molecular Weight |
319.382
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| Canonical SMILES |
CC1=CC(=O)C(C(C)C)=C/C1=N/OS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H17NO4S/c1-11(2)14-10-15(12(3)9-16(14)18)17-21-22(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3/b17-15-
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| InChIKey |
LUPHIZIYPWXHSF-ICFOKQHNSA-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