COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407560
Chemical Name: methyl3-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}thiophene-2-carboxylate
Smiles: COC(=O)c1sccc1NC1=C(C(=O)C1=O)N1CCN(CC1)C

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Molecular Weight: 335.38
Empirical Formula: C15H17N3O4S

Physical State: Dry powder
Available Amount: 287 mg

Lipinsky:
logP: 1.052
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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