COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548761
Chemical Name: ethyl6-amino-5-cyano-2-{[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)methyl]sulfanyl}-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(SCc2nc(CC)c3c(c2C#N)CCCC3)OC(=C(C1c1ccc(c(c1)OC)OC)C#N)N

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Molecular Weight: 560.67
Empirical Formula: C30H32N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.826
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 165
Number of rings: 4

     

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