COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028928
Chemical Name: ethyl(5Z)-2-[(4-chlorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

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Molecular Weight: 424.91
Empirical Formula: C22H17ClN2O3S

Physical State: Dry powder
Available Amount: 297 mg

Lipinsky:
logP: 5.734
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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