General Information of the Compound
| Compound ID |
CP0900416
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| Compound Name |
SID99356308
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| Structure |
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| Formula |
C21H20O5S
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| Molecular Weight |
384.453
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| Canonical SMILES |
COc1ccc(C=C2CS(=O)(=O)CC(=Cc3ccc(OC)cc3)C2=O)cc1
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| InChI |
InChI=1S/C21H20O5S/c1-25-19-7-3-15(4-8-19)11-17-13-27(23,24)14-18(21(17)22)12-16-5-9-20(26-2)10-6-16/h3-12H,13-14H2,1-2H3
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| InChIKey |
NXXRLIAVYCJUJL-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