COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562169
Chemical Name: 4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolinium-8-carboxylate
Smiles: Brc1cccc(c1)C1[NH2+]c2ccc(cc2C2C1CC(C2Cl)Sc1ccccc1[N+](=O)[O-])C(=O)[O-]

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Molecular Weight: 559.87
Empirical Formula: C25H20BrClN2O4S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 6.902
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 5

     

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