COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550609
Chemical Name: (2S,6'R)-4'-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]amino}-7-chloro-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Smiles: CSCC[C@@H](c1nc2c([nH]1)cccc2)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC

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Molecular Weight: 542.06
Empirical Formula: C27H28ClN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.234
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 5

     

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