COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231047
Chemical Name: 2-({[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Smiles: C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 419.46
Empirical Formula: C21H17N5O3S

Physical State: Dry powder
Available Amount: 201 mg

Lipinsky:
logP: 3.733
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 115
Number of rings: 5

     

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