COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK116086
Chemical Name: N-{[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2)Cl

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Molecular Weight: 489.94
Empirical Formula: C21H20ClN5O5S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 2.588
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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