COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK415179
Chemical Name: (2E)-2-(4-hydroxy-3-methoxybenzylidene)-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)O)/C(=O)C(C)(C)C

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Molecular Weight: 259.3
Empirical Formula: C15H17NO3

Physical State: Dry powder
Available Amount: 511 mg

Lipinsky:
logP: 2.281
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 70
Number of rings: 1

     

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