COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043322
Chemical Name: 4-bromo-N-[(3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-N,N-dimethylbutan-1-aminium
Smiles: BrCCCC[N+](CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2)(C)C

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Saltdata: Br-
Molecular Weight: 451.88
Empirical Formula: C22H26BrClNS

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.682
Rotatable bonds: 7
H-donors: 0
H-acceptors: 0
PSA: 25
Number of rings: 3

     

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