COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547974
Chemical Name: N-[(7S)-10-{[(2S)-1-{4-[(4-chlorophenyl)sulfonyl]piperazin-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)N1CCN(CC1)S(=O)(=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: 759.34
Empirical Formula: C36H43ClN4O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.048
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 177
Number of rings: 5

     

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