COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009333
Chemical Name: 3-[(2-methylpropyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: COc1cc(cc(c1OC)OC)c1nc(SCC(C)C)c(c2c1CCCC2)C#N

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Molecular Weight: 412.55
Empirical Formula: C23H28N2O3S

Physical State: Dry powder
Available Amount: 408 mg

Lipinsky:
logP: 5.61
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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