COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549934
Chemical Name: 2-(ethoxycarbonyl)phenyl1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
Smiles: CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

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Molecular Weight: 674.13
Empirical Formula: C34H28ClN3O8S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 7.88
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 181
Number of rings: 6

     

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