COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539350
Chemical Name: (8S,8aR)-6-amino-8-(3-bromo-4-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(c(c1)Br)OC)(C#N)C#N

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Molecular Weight: 424.3
Empirical Formula: C20H18BrN5O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.84
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 109
Number of rings: 3

     

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