General Information of the Compound
| Compound ID |
CP0451205
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| Compound Name |
N-(3-methylsulfanylphenyl)-2-phenylquinazolin-4-amine
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| Structure |
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| Formula |
C21H17N3S
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| Molecular Weight |
343.455
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| Canonical SMILES |
CSc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C21H17N3S/c1-25-17-11-7-10-16(14-17)22-21-18-12-5-6-13-19(18)23-20(24-21)15-8-3-2-4-9-15/h2-14H,1H3,(H,22,23,24)
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| InChIKey |
HQOYRLKAIJOQPD-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: PT02516, Multidrug resistance-associated protein 1