General Information of the Compound
| Compound ID |
CP0439662
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| Compound Name |
MLS001172197
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| Structure |
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| Formula |
C19H18ClNO4
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| Molecular Weight |
359.809
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| Canonical SMILES |
ClCC(=O)N(Cc1ccccc1OCC=C)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H18ClNO4/c1-2-9-23-16-6-4-3-5-14(16)12-21(19(22)11-20)15-7-8-17-18(10-15)25-13-24-17/h2-8,10H,1,9,11-13H2
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| InChIKey |
QQPZDSQLEDTJRI-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
Protein ID: PT05526, Phospholipid hydroperoxide glutathione peroxidase GPX4