COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550960
Chemical Name: (2R,3'Z,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-[({4-[(3-oxopiperazin-1-yl)carbonyl]phenyl}amino)methylidene]-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/Nc2ccc(cc2)C(=O)N2CCNC(=O)C2)/C1=O)Cl

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Molecular Weight: 567.98
Empirical Formula: C28H26ClN3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.695
Rotatable bonds: 2
H-donors: 2
H-acceptors: 8
PSA: 140
Number of rings: 5

     

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