COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012566
Chemical Name: heptyl(2Z,4Z)-2-cyano-4-(1-hexadecylquinolin-4(1H)-ylidene)but-2-enoate
Smiles: CCCCCCCCCCCCCCCCn1cc/c(=C/C=C(\C(=O)OCCCCCCC)/C#N)/c2c1cccc2

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Molecular Weight: 560.86
Empirical Formula: C37H56N2O2

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 12.063
Rotatable bonds: 24
H-donors: 0
H-acceptors: 2
PSA: 53
Number of rings: 2

     

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