COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561561
Chemical Name: Nalpha-{[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]acetyl}-N-methyl-D-tryptophanamide
Smiles: CNC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1c(oc2c1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC

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Molecular Weight: 726.18
Empirical Formula: C39H36ClN3O9

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.959
Rotatable bonds: 7
H-donors: 3
H-acceptors: 9
PSA: 158
Number of rings: 7

     

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