General Information of the Compound
| Compound ID |
CP0469626
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| Compound Name |
(E)-3-(3,4-dimethoxyphenyl)-1-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C27H25N3O5
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| Molecular Weight |
471.513
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4cc(OC)c(OC)cc34)c2)cc1OC
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| InChI |
InChI=1S/C27H25N3O5/c1-32-23-11-9-17(12-24(23)33-2)8-10-22(31)18-6-5-7-19(13-18)30-27-20-14-25(34-3)26(35-4)15-21(20)28-16-29-27/h5-16H,1-4H3,(H,28,29,30)/b10-8+
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| InChIKey |
ROCWBTOPJAVZHR-CSKARUKUSA-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