COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540732
Chemical Name: methyl4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H]2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N

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Molecular Weight: 373.41
Empirical Formula: C21H19N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.33
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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