COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK907695
Chemical Name: methyl2-{[(4-butoxy-3,5-dichlorophenyl)carbonyl]amino}-5-[(1E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate
Smiles: CCCCOc1c(Cl)cc(cc1Cl)C(=O)Nc1sc(c(c1C(=O)OC)C)/C(=C/C#N)/C

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Molecular Weight: 481.4
Empirical Formula: C22H22Cl2N2O4S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 10.081
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 2

     

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