COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551870
Chemical Name: 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]-3-(4-hydroxy-3-methoxyphenyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propana
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2

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Molecular Weight: 683.2
Empirical Formula: C36H43ClN2O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.712
Rotatable bonds: 10
H-donors: 3
H-acceptors: 9
PSA: 143
Number of rings: 6

     

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