COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552075
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-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl
Smiles: COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2)C

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Molecular Weight: 776.2
Empirical Formula: C39H38ClN3O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.51
Rotatable bonds: 12
H-donors: 2
H-acceptors: 12
PSA: 180
Number of rings: 7

     

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