General Information of the Compound
| Compound ID |
CP0521579
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| Compound Name |
(E)-3-(7-(2-(2-chlorophenyl)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 |
C24H14ClN3O
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| Molecular Weight |
395.849
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| Canonical SMILES |
Clc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C24H14ClN3O/c25-20-7-2-1-5-18(20)10-8-16-9-11-21-23(13-16)28-24(29)14-22(27-21)19-6-3-4-17(12-19)15-26/h1-7,9,11-13H,14H2,(H,28,29)
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| InChIKey |
LLHOABUETMECRR-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