COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561773
Chemical Name: N-1,3-benzothiazol-2-yl-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-(3,4,5-trimethoxyphenyl)propanoyl}-beta-alaninamide
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)NCCC(=O)Nc1nc2c(s1)cccc2

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Molecular Weight: 780.25
Empirical Formula: C38H38ClN3O11S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 6.105
Rotatable bonds: 11
H-donors: 3
H-acceptors: 11
PSA: 209
Number of rings: 6

     

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