COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL332605
Chemical Name: 6-amino-2-(2-phenylethyl)-8-(thiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)CCc1ccccc1)c1cccs1)(C#N)C#N

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Molecular Weight: 411.53
Empirical Formula: C24H21N5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.993
Rotatable bonds: 3
H-donors: 2
H-acceptors: 0
PSA: 128
Number of rings: 4

     

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