General Information of the Compound
| Compound ID |
CP0416871
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| Compound Name |
3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino]benzenesulfonyl fluoride
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| Structure |
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| Formula |
C22H18FN3O4S
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| Molecular Weight |
439.468
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)S(F)(=O)=O)c2ccccc2n1
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| InChI |
InChI=1S/C22H18FN3O4S/c1-29-19-11-10-14(12-20(19)30-2)21-25-18-9-4-3-8-17(18)22(26-21)24-15-6-5-7-16(13-15)31(23,27)28/h3-13H,1-2H3,(H,24,25,26)
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| InChIKey |
TVLUSQOSWMGZFO-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