COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540632
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-L-isoleucinamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 702.88
Empirical Formula: C37H46N6O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.975
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 170
Number of rings: 5

     

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