COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322009
Chemical Name: methyl(2E,4Z)-2-cyano-4-(1-hexadecylquinolin-4(1H)-ylidene)but-2-enoate
Smiles: CCCCCCCCCCCCCCCCn1cc/c(=C/C=C(/C(=O)OC)\C#N)/c2c1cccc2

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Molecular Weight: 476.7
Empirical Formula: C31H44N2O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 8.875
Rotatable bonds: 18
H-donors: 0
H-acceptors: 2
PSA: 53
Number of rings: 2

     

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