General Information of the Compound
| Compound ID |
CP0421518
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| Compound Name |
3-[(2-phenyl-4-quinazolinyl)amino]phenol
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| Structure |
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| Formula |
C20H15N3O
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| Molecular Weight |
313.36
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| Canonical SMILES |
Oc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C20H15N3O/c24-16-10-6-9-15(13-16)21-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13,24H,(H,21,22,23)
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| InChIKey |
GVWJIKJZLUZKNA-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic