General Information of the Compound
| Compound ID |
CP0373238
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| Compound Name |
(E)-4-phenyl-8-(2-phenylethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C23H16N2O
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| Molecular Weight |
336.394
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| Canonical SMILES |
O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H16N2O/c26-23-16-21(19-9-5-2-6-10-19)24-20-14-13-18(15-22(20)25-23)12-11-17-7-3-1-4-8-17/h1-10,13-15H,16H2,(H,25,26)
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| InChIKey |
QWNFPSHQDQDJLX-UHFFFAOYSA-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