COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK297230
Chemical Name: N-{[5-({2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 491.93
Empirical Formula: C21H19ClFN5O4S

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 3.627
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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