General Information of the Compound
| Compound ID |
CP0017872
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| Compound Name |
3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methylphenol
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| Structure |
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| Formula |
C17H16N2O3S
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| Molecular Weight |
328.393
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| Canonical SMILES |
Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
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| InChIKey |
BVHZLDLRNBQWRF-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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret