COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149958
Chemical Name: 3-[6-amino-5,7,7-tricyano-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinolinium-8-yl]phenolate
Smiles: N#CC1=C(N)C(C(C2C1=CC[NH+](C2)C(C)C)c1cccc(c1)[O-])(C#N)C#N

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Molecular Weight: 359.43
Empirical Formula: C21H21N5O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.495
Rotatable bonds: 2
H-donors: 3
H-acceptors: 1
PSA: 124
Number of rings: 3

     

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