COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL233377
Chemical Name: 2-[1-(1H-benzotriazol-1-yl)-4-(methylsulfonyl)-1-oxobutan-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(C(=O)c2c1cccc2)C(C(=O)n1nnc2c1cccc2)CCS(=O)(=O)C

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Molecular Weight: 412.43
Empirical Formula: C19H16N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.113
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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