COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147303
Chemical Name: (3E)-3-(2-chloro-4a,9a-dihydro-9H-thioxanthen-9-ylidene)-N-ethyl-N,N-dimethylpropan-1-aminium
Smiles: CC[N+](CC/C=C/1\C2C=C(Cl)C=CC2Sc2c1cccc2)(C)C

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Saltdata: Cl-
Molecular Weight: 346.94
Empirical Formula: C20H25ClNS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.196
Rotatable bonds: 4
H-donors: 0
H-acceptors: 0
PSA: 25
Number of rings: 3

     

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