COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552444
Chemical Name: (2R,3'E,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-({[2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethyl]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\NC(c2[nH]ncn2)Cc2ccccc2)/C1=O)Cl

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Molecular Weight: 536.97
Empirical Formula: C27H25ClN4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.628
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 132
Number of rings: 5

     

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