COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017909
Chemical Name: 1,5-dicyano-4-oxo-9-propyl-3-oxa-9-azoniaspiro[5.5]undec-1-ene-2-thiolate
Smiles: CCC[NH+]1CCC2(CC1)C(C#N)C(=O)OC(=C2C#N)[S-]

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Molecular Weight: 291.37
Empirical Formula: C14H17N3O2S

Physical State: Dry powder
Available Amount: 272 mg

Lipinsky:
logP: 3.643
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 78
Number of rings: 2

     

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