COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK222023
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-[(5-{2-[(2-chlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
Smiles: CCn1c(nnc1CC(=O)Nc1ccccc1Cl)SC(C(=O)Nc1ccc2c(c1)OCO2)C

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Molecular Weight: 487.97
Empirical Formula: C22H22ClN5O4S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 3.969
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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