General Information of the Compound
| Compound ID |
CP0212332
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| Compound Name |
MLS000097349
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| Structure |
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| Formula |
C23H20N4O5S
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| Molecular Weight |
464.503
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C23H20N4O5S/c1-31-16-10-8-15(9-11-16)21(29)26-27-22(30)18-6-2-3-7-19(18)25-23(27)33-14-20(28)24-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,24,28)(H,26,29)
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| InChIKey |
IHJKYAOJKZMYSM-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: PT06101, Latent membrane protein 1