COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561847
Chemical Name: (2R,3'E,6'R)-7-chloro-3'-(1-{[2-(3,4-dihydroxyphenyl)ethyl]amino}ethylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NCCc2ccc(c(c2)O)O)/C)/C1=O)Cl

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Molecular Weight: 515.95
Empirical Formula: C26H26ClNO8

Available Amount: 0 mg

Lipinsky:
logP: 4.225
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 131
Number of rings: 4

     

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