COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095401
Chemical Name: (8S,8aR)-2-acetyl-6-amino-8-(4-methoxynaphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)C)c1ccc(c2c1cccc2)OC)(C#N)C#N

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Molecular Weight: 423.47
Empirical Formula: C25H21N5O2

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 3.134
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 4

     

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