General Information of the Compound
| Compound ID |
CP0498572
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| Compound Name |
MLS002170809
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| Structure |
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| Formula |
C13H9Cl2N3O4
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| Molecular Weight |
342.138
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| Canonical SMILES |
Clc1cnn(CC(=O)Nc2ccc3OCOc3c2)c(=O)c1Cl
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| InChI |
InChI=1S/C13H9Cl2N3O4/c14-8-4-16-18(13(20)12(8)15)5-11(19)17-7-1-2-9-10(3-7)22-6-21-9/h1-4H,5-6H2,(H,17,19)
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| InChIKey |
YRCBMOXSCNNONA-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