COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549152
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]-L-methioninamide
Smiles: CSCC[C@@H](C(=O)Nc1ccc(cc1)c1ncn[nH]1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 658.78
Empirical Formula: C34H38N6O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.041
Rotatable bonds: 7
H-donors: 4
H-acceptors: 6
PSA: 181
Number of rings: 5

     

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