General Information of the Compound
| Compound ID |
CP0286631
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| Compound Name |
MLS000392833
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| Structure |
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| Formula |
C21H18N2O5S
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| Molecular Weight |
410.451
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| Canonical SMILES |
O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)
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| InChIKey |
XXPFGRVEANGYDQ-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