COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551020
Chemical Name: 1-chloro-8-(diethylcarbamoyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylicacid
Smiles: CCN(C(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)C(=O)O)Sc1ccccc1[N+](=O)[O-])CC

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Molecular Weight: 504.01
Empirical Formula: C24H26ClN3O5S

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 3.701
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 140
Number of rings: 4

     

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