COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL421598
Chemical Name: methylN-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanoyl}alaninate
Smiles: COC(=O)C(NC(=O)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2)C

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Molecular Weight: 404.49
Empirical Formula: C19H24N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.6
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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