COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407651
Chemical Name: methyl3-({2-[(4-chlorobenzyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)thiophene-2-carboxylate
Smiles: COC(=O)c1sccc1NC1=C(C(=O)C1=O)NCc1ccc(cc1)Cl

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Molecular Weight: 376.82
Empirical Formula: C17H13ClN2O4S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.897
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 112
Number of rings: 3

     

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