COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047267
Chemical Name: 4-(2-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolinium-6-carboxylate
Smiles: ClC1C(Sc2ccccc2[N+](=O)[O-])CC2C1c1cccc(c1[NH2+]C2c1ccccc1Br)C(=O)[O-]

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Molecular Weight: 559.87
Empirical Formula: C25H20BrClN2O4S

Physical State: Dry powder
Available Amount: 286 mg

Lipinsky:
logP: 7.669
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 5

     

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