COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302956
Chemical Name: ethyl2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate
Smiles: CCCCn1c(SCC(=O)Nc2sc(c(c2C(=O)OCC)C)C)nnc1c1nn(cc1Cl)C

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Molecular Weight: 511.07
Empirical Formula: C21H27ClN6O3S2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 5.739
Rotatable bonds: 10
H-donors: 1
H-acceptors: 3
PSA: 157
Number of rings: 3

     

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