COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK663719
Chemical Name: dimethyl1-[4-(butylsulfanyl)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Smiles: CCCCSc1ccc(cc1)N1C(=C(C(=O)OC)C(C(=C1C)C(=O)OC)c1ccc(c(c1)[N+](=O)[O-])Cl)C

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Molecular Weight: 545.06
Empirical Formula: C27H29ClN2O6S

Available Amount: 0 mg

Lipinsky:
logP: 5.879
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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