COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062433
Chemical Name: (8S,8aR)-6-amino-8-(7-methoxy-1,3-benzodioxol-5-yl)-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)c1cc(OC)c2c(c1)OCO2)(C#N)C#N

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Molecular Weight: 389.41
Empirical Formula: C21H19N5O3

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 2.381
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 128
Number of rings: 4

     

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