COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543749
Chemical Name: N-[(7S)-10-{[(2S)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CSCC[C@@H](C(=O)N1CCC(CC1)(O)c1ccc(cc1)Cl)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 710.29
Empirical Formula: C37H44ClN3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.875
Rotatable bonds: 8
H-donors: 3
H-acceptors: 7
PSA: 151
Number of rings: 5

     

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