COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561906
Chemical Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(3,4,5-trimethoxyphenyl
Smiles: CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 780.3
Empirical Formula: C39H42ClN3O10S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.735
Rotatable bonds: 11
H-donors: 3
H-acceptors: 10
PSA: 192
Number of rings: 6

     

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