COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552253
Chemical Name: 3-(1,3-benzodioxol-5-yl)-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-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)CC(C1=C(O)[C@]3([C@@H](CC1=O)C)Oc1c(C3=O)c(OC)cc(c1Cl)OC)c1ccc3c(c1)OCO3)c[nH]2

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Molecular Weight: 703.15
Empirical Formula: C37H35ClN2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.605
Rotatable bonds: 11
H-donors: 3
H-acceptors: 10
PSA: 154
Number of rings: 7

     

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