COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058863
Chemical Name: 7,11-dicyano-10-oxo-3-propyl-9-aza-3-azoniaspiro[5.5]undec-7-ene-8-thiolate
Smiles: CCC[NH+]1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)[S-]

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Saltdata: CH3(cyClo-N(CH2)2O(CH2)2)
Molecular Weight: 290.39
Empirical Formula: C14H18N4OS

Physical State: Dry powder
Available Amount: 299 mg

Lipinsky:
logP: 2.913
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 81
Number of rings: 2

     

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