General Information of the Compound
| Compound ID |
CP0567720
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| Compound Name |
(E)-3-(3,4-dimethoxyphenyl)-1-[3-[(2-phenylquinazolin-4-yl)amino]phenyl]prop-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(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccccc3)c2)cc1OC
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| InChI |
InChI=1S/C31H25N3O3/c1-36-28-18-16-21(19-29(28)37-2)15-17-27(35)23-11-8-12-24(20-23)32-31-25-13-6-7-14-26(25)33-30(34-31)22-9-4-3-5-10-22/h3-20H,1-2H3,(H,32,33,34)/b17-15+
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| InChIKey |
PCKPPLRHUNRNEH-BMRADRMJSA-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