COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552370
Chemical Name: 3-(1,3-benzodioxol-5-yl)-N-[(3-bromo-1H-1,2,4-triazol-5-yl)methyl]-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]propanamide
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1[nH]nc(n1)Br)Cl

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Molecular Weight: 689.9
Empirical Formula: C29H26BrClN4O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.212
Rotatable bonds: 9
H-donors: 3
H-acceptors: 9
PSA: 171
Number of rings: 6

     

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