COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043142
Chemical Name: 1,5-dicyano-4-hydroxy-9-methyl-3-azaspiro[5.5]undeca-1,3-diene-2-thiolate
Smiles: N#CC1C(=NC(=C(C21CCC(CC2)C)C#N)[S-])O

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Saltdata: cyClo-(+N(CH2)2O(CH2)2)
Molecular Weight: 260.34
Empirical Formula: C13H14N3OS

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 2.961
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 80
Number of rings: 2

     

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