COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK723627
Chemical Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Smiles: C=CCn1c2ccccc2c2c1nc(SCCCC(=O)c1ccc3c(c1)OCCO3)nn2

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Molecular Weight: 446.53
Empirical Formula: C24H22N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.005
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 104
Number of rings: 5

     

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