General Information of the Compound
| Compound ID |
CP0521578
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| Compound Name |
(E)-3-(8-(dimethylamino)-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 |
C26H20N4O
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| Molecular Weight |
404.473
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| Canonical SMILES |
CN(C)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C26H20N4O/c1-30(2)25-15-24-23(14-21(25)12-11-18-7-4-3-5-8-18)29-26(31)16-22(28-24)20-10-6-9-19(13-20)17-27/h3-10,13-15H,16H2,1-2H3,(H,29,31)
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| InChIKey |
JFHSXTVRMLNYBV-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