COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539338
Chemical Name: (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCNC2)c1cccc(c1OC)OC)(C#N)C#N

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Molecular Weight: 361.4
Empirical Formula: C20H19N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.23
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 127
Number of rings: 3

     

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