General Information of the Compound
| Compound ID |
CP0547393
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| Compound Name |
4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoic acid
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| Structure |
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| Formula |
C20H14N4O2
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| Molecular Weight |
342.358
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| Canonical SMILES |
OC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
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| InChI |
InChI=1S/C20H14N4O2/c25-20(26)14-5-7-15(8-6-14)22-19-16-3-1-2-4-17(16)23-18(24-19)13-9-11-21-12-10-13/h1-12H,(H,25,26)(H,22,23,24)
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| InChIKey |
QYJWXOYAPRIBLA-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