COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546515
Chemical Name: (8S,8aR)-6-amino-8-(4-chlorophenyl)-2-(2-phenylethyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)CCc1ccccc1)c1ccc(cc1)Cl)(C#N)C#N

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Molecular Weight: 439.95
Empirical Formula: C26H22ClN5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.91
Rotatable bonds: 2
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 4

     

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