COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552498
Chemical Name: N~3~-{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-(4-hydroxy-3-methoxyphenyl)propanoyl}-N-pyridin-2-yl-beta-alaninamide
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)Nc1ccccn1

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Molecular Weight: 680.11
Empirical Formula: C34H34ClN3O10

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.25
Rotatable bonds: 12
H-donors: 4
H-acceptors: 10
PSA: 182
Number of rings: 5

     

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