COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546737
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-L-methioninamide
Smiles: CSCC[C@@H](C(=O)Nc1ccc(cc1)n1nc(cc1C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 685.84
Empirical Formula: C37H43N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.185
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 158
Number of rings: 5

     

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