COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547550
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]-L-isoleucinamide
Smiles: CC[C@H]([C@@H](C(=O)NCc1nnnn1c1ccccc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 655.75
Empirical Formula: C35H41N7O6

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.221
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 158
Number of rings: 5

     

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