COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552329
Chemical Name: N~2~-{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-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tet
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N[C@@H](C(=O)NCc1cc(=O)n(c(=O)n1C)C)C

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Molecular Weight: 755.18
Empirical Formula: C36H39ClN4O12

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.37
Rotatable bonds: 13
H-donors: 4
H-acceptors: 12
PSA: 210
Number of rings: 5

     

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