COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK524623
Chemical Name: (4S,4aS)-2-amino-4-(2-bromophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CC1CCC2N1C)c1ccccc1Br)(C#N)C#N

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Molecular Weight: 420.31
Empirical Formula: C21H18BrN5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.542
Rotatable bonds: 0
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 4

     

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