General Information of the Compound
| Compound ID |
CP0447171
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| Compound Name |
MLS003124134
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| Structure |
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| Formula |
C23H22N4O5S
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| Molecular Weight |
466.519
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cnc2c(NC=O)cc(cn12)-c1cccc(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C23H22N4O5S/c1-31-21-8-7-16(11-22(21)32-2)20-12-24-23-19(25-14-28)10-17(13-27(20)23)15-5-4-6-18(9-15)26-33(3,29)30/h4-14,26H,1-3H3,(H,25,28)
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| InChIKey |
NOIFZEPSJXSHSN-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: PT06124, Paired box protein Pax-8