COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL266907
Chemical Name: (2Z)-[(5E)-5-(4-bromobenzylidene)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene](6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile
Smiles: C=CCn1c(=O)/c(=C\c2ccc(cc2)Br)/s/c/1=C(\c1nnc2n1CCCCC2)/C#N

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Molecular Weight: 482.4
Empirical Formula: C22H20BrN5OS

Available Amount: 0 mg

Lipinsky:
logP: 4.897
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 100
Number of rings: 4

     

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