COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045361
Chemical Name: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(methoxycarbonyl)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(cc1)C(=O)OC)(C#N)C#N

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Molecular Weight: 493.52
Empirical Formula: C28H23N5O4

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 153
Number of rings: 4

     

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