COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545417
Chemical Name: methylN-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl-L-phenylalaninate
Smiles: CSCC[C@@H](C(=O)N[C@H](C(=O)OC)Cc1ccccc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 677.82
Empirical Formula: C36H43N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.421
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 166
Number of rings: 4

     

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