COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327924
Chemical Name: 2-(2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C3C=CC(C2C(=O)N1CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)C3

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Molecular Weight: 494.41
Empirical Formula: C21H24BrN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.935
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 5

     

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