COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544691
Chemical Name: N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl-L-methionine
Smiles: CSCC[C@@H](C(=O)O)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: 629.77
Empirical Formula: C32H43N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.754
Rotatable bonds: 11
H-donors: 4
H-acceptors: 8
PSA: 177
Number of rings: 3

     

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