COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754094
Chemical Name: (8R)-6-amino-8-(2,3-dichlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H](C2C1=CCN(C2)C(C)C)c1cccc(c1Cl)Cl)(C#N)C#N

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Molecular Weight: 412.32
Empirical Formula: C21H19Cl2N5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.296
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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