COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532365
Chemical Name: 6-bromo-1-chloro-8-nitro-2-[(2-nitrophenyl)sulfanyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
Smiles: ClC1C(CC2C1c1cc(cc(c1NC2c1ccccc1)Br)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

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Molecular Weight: 560.86
Empirical Formula: C24H19BrClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.955
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 5

     

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