COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545003
Chemical Name: methyl{1-[({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}amino)methyl]cyclohexyl}acetate
Smiles: CSCC[C@@H](C(=O)NCC1(CCCCC1)CC(=O)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 683.87
Empirical Formula: C36H49N3O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.311
Rotatable bonds: 12
H-donors: 3
H-acceptors: 8
PSA: 166
Number of rings: 4

     

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