General Information of the Compound
| Compound ID |
CP0038322
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| Compound Name |
MLS000520800
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| Structure |
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| Formula |
C24H18ClN3O4S
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| Molecular Weight |
479.945
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C24H18ClN3O4S/c1-32-18-12-8-16(9-13-18)22(30)27-28-23(31)19-4-2-3-5-20(19)26-24(28)33-14-21(29)15-6-10-17(25)11-7-15/h2-13H,14H2,1H3,(H,27,30)
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| InChIKey |
KZKFCJNJLKFPFS-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