COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK832999
Chemical Name: di-tert-butyl6-amino-5,7,7-tricyano-1,3,7,8a-tetrahydro-1'H,2H-spiro[isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
Smiles: N#CC1=C(N)C(C2(C3C1=CCN(C3)C(=O)OC(C)(C)C)CCN(CC2)C(=O)OC(C)(C)C)(C#N)C#N

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Molecular Weight: 494.59
Empirical Formula: C26H34N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.001
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 156
Number of rings: 3

     

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