COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952714
Chemical Name: methyl2-({(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/C(=O)Nc1sc(c(c1C(=O)OC)C)C

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Molecular Weight: 475.35
Empirical Formula: C22H16Cl2N2O4S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 8.096
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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