COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551878
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-[2-(2-methyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl)ethyl]-3-[
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1ccc2c(c1=O)cnc1n2nc(n1)C

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Molecular Weight: 759.24
Empirical Formula: C37H35ClN6O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.209
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 199
Number of rings: 7

     

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