COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552270
Chemical Name: (2R,3'E,6'R)-3'-({[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino}methylidene)-7-chloro-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: CC[C@@H]([C@@H](c1nc2c([nH]1)cccc2)N/C=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)C

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Molecular Weight: 552.03
Empirical Formula: C29H30ClN3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.272
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 119
Number of rings: 5

     

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