COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620919
Chemical Name: 3-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Smiles: COc1cc(ccc1OC)CCn1c(N)c(C#N)c2c(c1=S)CCCC2

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Molecular Weight: 369.49
Empirical Formula: C20H23N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.701
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 103
Number of rings: 3

     

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