COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447189
Chemical Name: methyl(5Z)-2-[(3,4-dichlorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

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Molecular Weight: 445.33
Empirical Formula: C21H14Cl2N2O3S

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 6.108
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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