COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438574
Chemical Name: 1-chloro-8-iodo-6-methyl-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
Smiles: Ic1cc(C)c2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

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Molecular Weight: 621.88
Empirical Formula: C25H21ClIN3O4S

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 7.638
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 5

     

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