COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245760
Chemical Name: N-[(4-ethyl-5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1CC)CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 454.51
Empirical Formula: C22H22N4O5S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 2.955
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 4

     

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