COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053781
Chemical Name: (8S,8aR)-6-amino-8-{3-methoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(c(c1)OC)OCCN1CCOCC1)(C#N)C#N

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Molecular Weight: 474.56
Empirical Formula: C26H30N6O3

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 1.442
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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