COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171376
Chemical Name: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-({5-[(phenylamino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Smiles: C=CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1CNc1ccccc1

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Molecular Weight: 450.52
Empirical Formula: C22H22N6O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.917
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 127
Number of rings: 4

     

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