COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK123855
Chemical Name: ethyl6-methyl-2-[({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)n(CC=C)c2c3cccc2)sc2c1CCN(C2)C

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Molecular Weight: 522.65
Empirical Formula: C25H26N6O3S2

Physical State: Dry powder
Available Amount: 386 mg

Lipinsky:
logP: 4.934
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 155
Number of rings: 5

     

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