COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538085
Chemical Name: 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
Smiles: COc1ccc(cc1OC)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C

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Molecular Weight: 454.61
Empirical Formula: C27H38N2O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.899
Rotatable bonds: 13
H-donors: 0
H-acceptors: 4
PSA: 63
Number of rings: 2

     

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