General Information of the Compound
| Compound ID |
CP0064537
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| Compound Name |
2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1,3-benzothiazole
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| Structure |
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| Formula |
C18H14N2OS2
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| Molecular Weight |
338.457
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| Canonical SMILES |
COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1
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| InChI |
InChI=1S/C18H14N2OS2/c1-11-9-17(13-10-12(21-2)7-8-14(13)19-11)23-18-20-15-5-3-4-6-16(15)22-18/h3-10H,1-2H3
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| InChIKey |
PGWZWDHGBCTCBR-UHFFFAOYSA-N
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| CAS |
5429-26-5
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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: PT01214, Tyrosine-protein kinase JAK2