General Information of the Compound
| Compound ID |
CP0390684
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| Compound Name |
(E)-3-(3,4-dimethoxyphenyl)-1-[3-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C25H21N3O3
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| Molecular Weight |
411.461
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4ccccc34)c2)cc1OC
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| InChI |
InChI=1S/C25H21N3O3/c1-30-23-13-11-17(14-24(23)31-2)10-12-22(29)18-6-5-7-19(15-18)28-25-20-8-3-4-9-21(20)26-16-27-25/h3-16H,1-2H3,(H,26,27,28)/b12-10+
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| InChIKey |
OICZLPMHMDETMI-ZRDIBKRKSA-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