General Information of the Compound
| Compound ID |
CP0552367
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| Compound Name |
tert-butyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
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| Structure |
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| Formula |
C24H22N4O2
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| Molecular Weight |
398.466
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| Canonical SMILES |
CC(C)(C)OC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
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| InChI |
InChI=1S/C24H22N4O2/c1-24(2,3)30-23(29)17-7-6-8-18(15-17)26-22-19-9-4-5-10-20(19)27-21(28-22)16-11-13-25-14-12-16/h4-15H,1-3H3,(H,26,27,28)
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| InChIKey |
QKHVBGIOAYREBB-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