COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK221904
Chemical Name: N-[(5-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(SCCOc2ccc(cc2)Cl)nnc1CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 460.94
Empirical Formula: C21H21ClN4O4S

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 4.005
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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