COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL158046
Chemical Name: 2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-{[2-(methoxycarbonyl)thiophen-3-yl]amino}-4-oxobutanoicacid
Smiles: COC(=O)c1sccc1NC(=O)CC(C(=O)O)CN1CCN(CC1)c1cccc(c1)Cl

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Molecular Weight: 465.96
Empirical Formula: C21H24ClN3O5S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 4.256
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 3

     

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