General Information of the Compound
| Compound ID |
CP0451195
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| Compound Name |
4-(2-Phenyl-quinazolin-4-ylamino)-benzoic acid methyl ester
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| Structure |
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| Formula |
C22H17N3O2
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| Molecular Weight |
355.397
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| Canonical SMILES |
COC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C22H17N3O2/c1-27-22(26)16-11-13-17(14-12-16)23-21-18-9-5-6-10-19(18)24-20(25-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24,25)
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| InChIKey |
YNJLEXNLBZQNTP-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