COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120700
Chemical Name: N-{[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1CC)CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 469.52
Empirical Formula: C22H23N5O5S

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 2.419
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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