General Information of the Compound
| Compound ID |
CP0152855
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| Compound Name |
2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-6,8-dimethyl-quinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H18N4O2S
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| Molecular Weight |
402.479
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| Canonical SMILES |
Cc1cc(C)c2nc(SCC(=O)N3CC(=O)Nc4ccccc34)c(cc2c1)C#N
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| InChI |
InChI=1S/C22H18N4O2S/c1-13-7-14(2)21-15(8-13)9-16(10-23)22(25-21)29-12-20(28)26-11-19(27)24-17-5-3-4-6-18(17)26/h3-9H,11-12H2,1-2H3,(H,24,27)
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| InChIKey |
PQPIKCDVGJLUJJ-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