COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408583
Chemical Name: methyl3-{[2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}thiophene-2-carboxylate
Smiles: COC(=O)c1sccc1NC1=C(C(=O)C1=O)NC1CCCCC1

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Molecular Weight: 334.4
Empirical Formula: C16H18N2O4S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.382
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 112
Number of rings: 3

     

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