COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK006467
Chemical Name: ethyl4-(4-chlorophenyl)-2-{[(E)-(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(/N=C/C2C(=O)CC(CC2=O)(C)C)scc1c1ccc(cc1)Cl

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Molecular Weight: 431.94
Empirical Formula: C22H22ClNO4S

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 5.086
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 3

     

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