COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL477713
Chemical Name: 4-[({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: C=CCn1c2ccccc2c2c1nc(SCC(=O)Nc1ccc(cc1)C(=O)O)nn2

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Molecular Weight: 419.46
Empirical Formula: C21H17N5O3S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 4.228
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 135
Number of rings: 4

     

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