COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552470
Chemical Name: (2R,3'E,6'R)-7-chloro-4,6-dimethoxy-3'-[({[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl](4-methoxyphenyl)methyl}amino)methylidene]-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COCc1n[nH]c(n1)C(c1ccc(cc1)OC)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: 597.02
Empirical Formula: C29H29ClN4O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.446
Rotatable bonds: 6
H-donors: 2
H-acceptors: 8
PSA: 150
Number of rings: 5

     

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