General Information of the Compound
| Compound ID |
CP0528179
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| Compound Name |
N-(3-methylsulfanylphenyl)-2-phenylquinolin-4-amine
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| Structure |
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| Formula |
C22H18N2S
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| Molecular Weight |
342.467
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| Canonical SMILES |
CSc1cccc(Nc2cc(nc3ccccc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C22H18N2S/c1-25-18-11-7-10-17(14-18)23-22-15-21(16-8-3-2-4-9-16)24-20-13-6-5-12-19(20)22/h2-15H,1H3,(H,23,24)
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| InChIKey |
LTDJZGASGBIVLZ-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1