COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK671300
Chemical Name: 3-[(3E)-4-(dimethylamino)but-3-en-2-ylidene]-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
Smiles: CN(/C=C/C(=c/1\c(=O)n(C)c2c(n(c1=O)C)cccc2)/C)C

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Molecular Weight: 299.37
Empirical Formula: C17H21N3O2

Available Amount: 0 mg

Lipinsky:
logP: 0.852
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 43
Number of rings: 2

     

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