COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL222027
Chemical Name: 4-({[(3aS,4R,9bR)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl}amino)benzoicacid
Smiles: OC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 491.52
Empirical Formula: C25H21N3O6S

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 4.627
Rotatable bonds: 2
H-donors: 3
H-acceptors: 6
PSA: 149
Number of rings: 5

     

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