COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327090
Chemical Name: methyl4-(6-amino-5,7,7-tricyano-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2CNCC=C2C(=C(C1(C#N)C#N)N)C#N

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Molecular Weight: 359.39
Empirical Formula: C20H17N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.471
Rotatable bonds: 1
H-donors: 3
H-acceptors: 2
PSA: 135
Number of rings: 3

     

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