General Information of the Compound
| Compound ID |
CP0403081
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| Compound Name |
(E)-1-[4-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C32H27N3O4
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| Molecular Weight |
517.585
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)c1
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| InChI |
InChI=1S/C32H27N3O4/c1-37-25-8-6-7-21(19-25)11-17-28(36)22-12-15-24(16-13-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-11+
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| InChIKey |
ABFNXIZZKNVMDN-GZTJUZNOSA-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