COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL024454
Chemical Name: 2-[(2,4-dichlorobenzyl)sulfanyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2Cl)Cl)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2

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Molecular Weight: 531.46
Empirical Formula: C26H24Cl2N2O4S

Available Amount: 0 mg

Lipinsky:
logP: 4.468
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 4

     

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