COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957113
Chemical Name: 6-amino-8-(3-bromophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2C(C1)C(c1cccc(c1)Br)C(=C(C2(C#N)C#N)N)C#N

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Molecular Weight: 422.33
Empirical Formula: C21H20BrN5

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 4.734
Rotatable bonds: 3
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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