COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551910
Chemical Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-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)propana
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](c1nc2c([nH]1)cccc2)[C@H](CC)C

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Molecular Weight: 718.2
Empirical Formula: C38H40ClN3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.845
Rotatable bonds: 11
H-donors: 4
H-acceptors: 9
PSA: 169
Number of rings: 6

     

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