General Information of the Compound
| Compound ID |
CP0448623
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| Compound Name |
MLS003124126
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| Structure |
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| Formula |
C23H21N3O4
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| Molecular Weight |
403.438
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cnc2c(NC=O)cc(cn12)-c1ccccc1OC
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| InChI |
InChI=1S/C23H21N3O4/c1-28-20-7-5-4-6-17(20)16-10-18(25-14-27)23-24-12-19(26(23)13-16)15-8-9-21(29-2)22(11-15)30-3/h4-14H,1-3H3,(H,25,27)
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| InChIKey |
OGRLBOHJSCZONK-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