COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK116071
Chemical Name: N-{[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 439.5
Empirical Formula: C21H21N5O4S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 2.336
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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