COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL301272
Chemical Name: 2-[(E)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-ylidenemethyl]-3-oxo-3-phenylpropanenitrile
Smiles: N#CC(C(=O)c1ccccc1)/C=c\1/[nH]nc2n1CCCCC2

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Molecular Weight: 294.36
Empirical Formula: C17H18N4O

Available Amount: 0 mg

Lipinsky:
logP: 2.442
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 68
Number of rings: 3

     

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