COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551926
Chemical Name: 3-(1,3-benzodioxol-5-yl)-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-(pyrimidin-2-ylamino)ethyl]propanamide
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCNc1ncccn1)Cl

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Molecular Weight: 651.07
Empirical Formula: C32H31ClN4O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.903
Rotatable bonds: 10
H-donors: 3
H-acceptors: 9
PSA: 167
Number of rings: 6

     

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