COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552108
Chemical Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-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]propanamide
Smiles: CC[C@@H]([C@@H](c1nc2c([nH]1)cccc2)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2)C

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Molecular Weight: 716.19
Empirical Formula: C38H38ClN3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.738
Rotatable bonds: 9
H-donors: 3
H-acceptors: 9
PSA: 158
Number of rings: 7

     

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