General Information of the Compound
| Compound ID |
CP0395884
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| Compound Name |
4-[(2-phenylquinazolin-4-yl)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 |
Oc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C20H15N3O/c24-16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13,24H,(H,21,22,23)
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| InChIKey |
HIKSDBXOPYKUQF-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
GI50 = 14600 nM
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TI
LI
LO
TS
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