General Information of the Compound
| Compound ID |
CP0522335
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| Compound Name |
(E)-4-(3-chlorophenyl)-8-(2-phenylethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C23H15ClN2O
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| Molecular Weight |
370.839
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| Canonical SMILES |
Clc1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C23H15ClN2O/c24-19-8-4-7-18(14-19)21-15-23(27)26-22-13-17(11-12-20(22)25-21)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H,26,27)
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| InChIKey |
KPUGPRGWUXMDLJ-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