COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK329384
Chemical Name: propan-2-yl3,3,4,4-tetracyano-1-methyl-5-phenyl-6,8-dithiabicyclo[3.2.1]octane-2-carboxylate
Smiles: N#CC1(C#N)C(C(=O)OC(C)C)C2(C)CSC(C1(C#N)C#N)(S2)c1ccccc1

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Molecular Weight: 422.53
Empirical Formula: C21H18N4O2S2

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 7.716
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 172
Number of rings: 3

     

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