General Information of the Compound
| Compound ID |
CP0392973
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| Compound Name |
(E)-3-(7-(2-(2,4-difluorophenyl)ethynyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)benzonitrile
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| Structure |
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| Formula |
C24H13F2N3O
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| Molecular Weight |
397.384
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| Canonical SMILES |
Fc1ccc(C#Cc2ccc3N=C(CC(=O)Nc3c2)c2cccc(c2)C#N)c(F)c1
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| InChI |
InChI=1S/C24H13F2N3O/c25-19-8-7-17(20(26)12-19)6-4-15-5-9-21-23(11-15)29-24(30)13-22(28-21)18-3-1-2-16(10-18)14-27/h1-3,5,7-12H,13H2,(H,29,30)
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| InChIKey |
LZRDCWOBOTZABS-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