COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561758
Chemical Name: 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]-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Smiles: COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1ccccn1

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Molecular Weight: 710.14
Empirical Formula: C35H36ClN3O11

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.552
Rotatable bonds: 10
H-donors: 3
H-acceptors: 11
PSA: 180
Number of rings: 5

     

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