General Information of the Compound
| Compound ID |
CP0390685
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| Compound Name |
(E)-3-phenyl-1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C29H21N3O
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| Molecular Weight |
427.507
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| Canonical SMILES |
O=C(\C=C\c1ccccc1)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H21N3O/c33-27(20-15-21-9-3-1-4-10-21)22-16-18-24(19-17-22)30-29-25-13-7-8-14-26(25)31-28(32-29)23-11-5-2-6-12-23/h1-20H,(H,30,31,32)/b20-15+
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| InChIKey |
BKZCMIZCBYJRRC-HMMYKYKNSA-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