COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111026
Chemical Name: (2E)-2-cyano-N-(3,5-dimethylphenyl)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)F)N1CCCC1)/C(=O)Nc1cc(C)cc(c1)C

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Molecular Weight: 363.43
Empirical Formula: C22H22FN3O

Physical State: Dry powder
Available Amount: 414 mg

Lipinsky:
logP: 5.333
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 56
Number of rings: 3

     

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