COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027165
Chemical Name: ethyl(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(3-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 429.88
Empirical Formula: C21H16ClNO5S

Physical State: Dry powder
Available Amount: 423 mg

Lipinsky:
logP: 5.971
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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