General Information of the Compound
| Compound ID |
CP0531581
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| Compound Name |
(E)-3-(4-methoxyphenyl)-1-[3-[(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 |
COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccccc3)c2)cc1
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| InChI |
InChI=1S/C30H23N3O2/c1-35-25-17-14-21(15-18-25)16-19-28(34)23-10-7-11-24(20-23)31-30-26-12-5-6-13-27(26)32-29(33-30)22-8-3-2-4-9-22/h2-20H,1H3,(H,31,32,33)/b19-16+
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| InChIKey |
LRWVQZDLCREUSK-KNTRCKAVSA-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