General Information of the Compound
| Compound ID |
CP0401965
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| Compound Name |
(E)-3-(3-methoxyphenyl)-1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C30H23N3O2
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| Molecular Weight |
457.533
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C30H23N3O2/c1-35-25-11-7-8-21(20-25)14-19-28(34)22-15-17-24(18-16-22)31-30-26-12-5-6-13-27(26)32-29(33-30)23-9-3-2-4-10-23/h2-20H,1H3,(H,31,32,33)/b19-14+
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| InChIKey |
BXXMOZUVOUKJNT-XMHGGMMESA-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