COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618736
Chemical Name: methyl7-benzyl-9-(4-chlorophenyl)-5-cyano-2-oxo-4-thioxo-3,7-diazabicyclo[3.3.1]nonane-1-carboxylate
Smiles: COC(=O)C12CN(Cc3ccccc3)CC(C2c2ccc(cc2)Cl)(C(=S)NC1=O)C#N

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Molecular Weight: 453.95
Empirical Formula: C23H20ClN3O3S

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 3.981
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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