COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245766
Chemical Name: N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(SCC(=O)NCc2ccccc2)nnc1CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 453.52
Empirical Formula: C22H23N5O4S

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 2.162
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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