COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561667
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]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-3-(3,4,5-trimethoxyphenyl)propanamid
Smiles: COc1cc(cc(c1OC)OC)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: 727.25
Empirical Formula: C38H47ClN2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.182
Rotatable bonds: 9
H-donors: 2
H-acceptors: 10
PSA: 142
Number of rings: 6

     

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