COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245763
Chemical Name: N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(SCC(=O)Nc2nc3c(s2)cccc3)nnc1CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 496.57
Empirical Formula: C22H20N6O4S2

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 3.167
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 173
Number of rings: 5

     

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