COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170523
Chemical Name: tert-butyl6-amino-8-(3-bromo-4-methoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C(C2=CCN(CC2C1c1ccc(c(c1)Br)OC)C(=O)OC(C)(C)C)(C#N)C#N

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Molecular Weight: 510.39
Empirical Formula: C24H24BrN5O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.351
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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