COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531484
Chemical Name: 3-{(3,4-dimethoxybenzyl)[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]amino}propanenitrile
Smiles: N#CCCN(Cc1ccc(c(c1)OC)OC)CCC1(CC(C)N(CC1C)C)c1ccccc1

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Saltdata: 2 HCl
Molecular Weight: 449.64
Empirical Formula: C28H39N3O2

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 4.623
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 48
Number of rings: 3

     

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