General Information of the Compound
| Compound ID |
CP0482675
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| Compound Name |
4-[(2-phenylquinolin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C22H15N3
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| Molecular Weight |
321.383
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| Canonical SMILES |
N#Cc1ccc(Nc2cc(nc3ccccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C22H15N3/c23-15-16-10-12-18(13-11-16)24-22-14-21(17-6-2-1-3-7-17)25-20-9-5-4-8-19(20)22/h1-14H,(H,24,25)
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| InChIKey |
YDIZFRBIKCDJDU-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