COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542995
Chemical Name: methylN-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl-L-phenylalaninate
Smiles: COC(=O)[C@@H](NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)Cc1ccccc1

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Molecular Weight: 645.75
Empirical Formula: C36H43N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.493
Rotatable bonds: 8
H-donors: 3
H-acceptors: 8
PSA: 141
Number of rings: 4

     

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