COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525364
Chemical Name: methyl4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-propyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]benzoate
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)C(=O)OC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 401.47
Empirical Formula: C23H23N5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.393
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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