COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547689
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({(2S)-4-(methylsulfanyl)-1-oxo-1-[4-(piperidin-1-ylsulfonyl)-1,4-diazepan-1-yl]butan-2-yl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: CSCC[C@@H](C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCCC1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 745.96
Empirical Formula: C36H51N5O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.299
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 180
Number of rings: 5

     

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