COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL338199
Chemical Name: 1-ethyl-1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium
Smiles: CC[N+]1(C)CC/C(=C\2/c3ccccc3CC(=O)c3c2ccs3)/CC1

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Saltdata: Br-
Molecular Weight: 338.49
Empirical Formula: C21H24NOS

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 1.824
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 45
Number of rings: 4

     

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