COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133520
Chemical Name: N-{[5-({2-[(2,3-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1cccc(c1Cl)Cl

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Molecular Weight: 508.38
Empirical Formula: C21H19Cl2N5O4S

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 3.203
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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