COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112769
Chemical Name: N,N-diethyl-N-methyl-4-(thianthren-2-yl)but-2-yn-1-aminium
Smiles: CC[N+](CC#CCc1ccc2c(c1)Sc1c(S2)cccc1)(CC)C

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Saltdata: I-
Molecular Weight: 354.56
Empirical Formula: C21H24NS2

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 1.869
Rotatable bonds: 4
H-donors: 0
H-acceptors: 0
PSA: 50
Number of rings: 3

     

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