COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018827
Chemical Name: ethyl2-[(benzylsulfanyl)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSCc2ccccc2)oc2c1c(CN(C)C)c(cc2)O

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Saltdata: HCI
Molecular Weight: 399.51
Empirical Formula: C22H25NO4S

Physical State: Dry powder
Available Amount: 334 mg

Lipinsky:
logP: 4.172
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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