COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870223
Chemical Name: 1-[(2E)-4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-bis(propylsulfonyl)but-2-en-2-yl]pyridinium
Smiles: CCCS(=O)(=O)/C(=C(\C(=O)c1ccc(cc1C)C)/[n+]1ccccc1)/C(S(=O)(=O)CCC)Cl

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Molecular Weight: 499.07
Empirical Formula: C23H29ClNO5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 0
H-acceptors: 5
PSA: 105
Number of rings: 2

     

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