COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK858767
Chemical Name: 6-amino-2-methyl-8-(3,4,5-trimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1cc(OC)c(c(c1)OC)OC)(C#N)C#N

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Molecular Weight: 405.46
Empirical Formula: C22H23N5O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.792
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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