COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559217
Chemical Name: 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile
Smiles: N#CC1=C(N)C(C2(C3C1=CCN(C3)Cc1ccccc1)C(=Nc1c2cc(Br)cc1)O)(C#N)C#N

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Molecular Weight: 511.38
Empirical Formula: C26H19BrN6O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.705
Rotatable bonds: 2
H-donors: 3
H-acceptors: 1
PSA: 133
Number of rings: 5

     

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