COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958006
Chemical Name: 6-amino-8-(2,3-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)c1cccc(c1OC)OC

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Molecular Weight: 403.48
Empirical Formula: C23H25N5O2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.7
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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