General Information of the Compound
| Compound ID |
CP0544644
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| Compound Name |
(E)-1-[4-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino]phenyl]-3-phenylprop-2-en-1-one
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| Structure |
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| Formula |
C31H25N3O3
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| Molecular Weight |
487.559
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)C(=O)\C=C\c2ccccc2)c2ccccc2n1
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| InChI |
InChI=1S/C31H25N3O3/c1-36-28-19-15-23(20-29(28)37-2)30-33-26-11-7-6-10-25(26)31(34-30)32-24-16-13-22(14-17-24)27(35)18-12-21-8-4-3-5-9-21/h3-20H,1-2H3,(H,32,33,34)/b18-12+
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| InChIKey |
FJEZJUGPPNTNPR-LDADJPATSA-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