COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545074
Chemical Name: methylN-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl-L-phenylalaninate
Smiles: CC[C@@H]([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)C

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Molecular Weight: 659.78
Empirical Formula: C37H45N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.024
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 141
Number of rings: 4

     

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