COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549968
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(1H-benzimidazol-2-yl)propyl]-L-methioninamide
Smiles: CSCC[C@@H](C(=O)NCCCc1nc2c([nH]1)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 673.83
Empirical Formula: C36H43N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.825
Rotatable bonds: 10
H-donors: 4
H-acceptors: 6
PSA: 168
Number of rings: 5

     

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