COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL333799
Chemical Name: benzyl6-amino-8-(4-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)Br)(C#N)C#N

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Molecular Weight: 514.38
Empirical Formula: C26H20BrN5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.702
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 4

     

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