General Information of the Compound
| Compound ID |
CP0386498
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| Compound Name |
(E)-1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H23N3O4
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| Molecular Weight |
441.487
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1
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| InChI |
InChI=1S/C26H23N3O4/c1-31-20-6-4-5-17(13-20)7-12-23(30)18-8-10-19(11-9-18)29-26-21-14-24(32-2)25(33-3)15-22(21)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b12-7+
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| InChIKey |
ZETIIRDYSPAIOH-KPKJPENVSA-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