COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001262
Chemical Name: 6-amino-8-[3-methoxy-4-(pentyloxy)phenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCCCOc1ccc(cc1OC)C1C2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N

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Molecular Weight: 431.54
Empirical Formula: C25H29N5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.215
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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