COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552572
Chemical Name: (2S,6'R)-7-chloro-2'-hydroxy-3'-[1-(4-hydroxy-3-methoxyphenyl)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxopropyl]-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc(c(c1)OC)O)CC(=O)N1CCCN(CC1)C)Cl

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Molecular Weight: 629.11
Empirical Formula: C32H37ClN2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.856
Rotatable bonds: 9
H-donors: 2
H-acceptors: 9
PSA: 135
Number of rings: 5

     

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