COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541708
Chemical Name: {[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
Smiles: C=CCn1c(SCC(=O)O)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 319.34
Empirical Formula: C14H13N3O4S

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 2.742
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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