General Information of the Compound
| Compound ID |
CP0510824
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| Compound Name |
(E)-3-(8-(cyanomethoxy)-4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)benzonitrile
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| Structure |
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| Formula |
C26H16N4O2
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| Molecular Weight |
416.44
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| Canonical SMILES |
O=C1CC(=Nc2cc(OCC#N)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C26H16N4O2/c27-11-12-32-25-15-24-23(14-21(25)10-9-18-5-2-1-3-6-18)30-26(31)16-22(29-24)20-8-4-7-19(13-20)17-28/h1-8,13-15H,12,16H2,(H,30,31)
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| InChIKey |
NMVLUUKGEXUMHK-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