COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024702
Chemical Name: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[3-methoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC(C)C)(C#N)C#N

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Molecular Weight: 523.59
Empirical Formula: C30H29N5O4

Physical State: Dry powder
Available Amount: 578 mg

Lipinsky:
logP: 4.546
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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