COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551702
Chemical Name: (2R,3'E,6'R)-7-chloro-3'-({[1-(3,4-dimethoxyphenyl)-2-methylpropyl]amino}methylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc(ccc1OC)C(C(C)C)N/C=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C

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Molecular Weight: 558.03
Empirical Formula: C29H32ClNO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.666
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 109
Number of rings: 4

     

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