COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550163
Chemical Name: (2R,3'Z,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-[({4-[4-(methylsulfonyl)piperazin-1-yl]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)N2CCN(CC2)S(=O)(=O)C)/C1=O)Cl

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Molecular Weight: 604.08
Empirical Formula: C28H30ClN3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.975
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 139
Number of rings: 5

     

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