General Information of the Compound
| Compound ID |
CP0481658
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| Compound Name |
2-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C24H20F3N3O3
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| Molecular Weight |
455.436
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(Nc2ccc(OC)c(c2)C(F)(F)F)c2ccccc2n1
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| InChI |
InChI=1S/C24H20F3N3O3/c1-31-19-11-9-15(13-17(19)24(25,26)27)28-23-16-6-4-5-7-18(16)29-22(30-23)14-8-10-20(32-2)21(12-14)33-3/h4-13H,1-3H3,(H,28,29,30)
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| InChIKey |
CVXOSAZUPUTDLY-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