General Information of the Compound
| Compound ID |
CP0912771
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| Compound Name |
SID22408831
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| Structure |
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| Formula |
C24H22N2O2S
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| Molecular Weight |
402.519
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| Canonical SMILES |
CC(C)c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H22N2O2S/c1-17(2)19-14-12-18(13-15-19)16-23(29(27,28)20-8-4-3-5-9-20)24-25-21-10-6-7-11-22(21)26-24/h3-17H,1-2H3,(H,25,26)/b23-16+
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| InChIKey |
JPKDQGIHXQOKGQ-XQNSMLJCSA-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