COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177455
Chemical Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-yl3-chloro-1-benzothiophene-2-carboxylate
Smiles: O=C(c1sc2c(c1Cl)cccc2)OCC#CCSc1sc2c(n1)cccc2

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Molecular Weight: 429.97
Empirical Formula: C20H12ClNO2S3

Physical State: Dry powder
Available Amount: 433 mg

Lipinsky:
logP: 8.199
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 120
Number of rings: 4

     

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