COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551895
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-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-3-[4-(methylsu
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCSCc1nc(O)c2c(n1)cc(c(c2)OC)OC

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Molecular Weight: 810.35
Empirical Formula: C39H40ClN3O10S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.676
Rotatable bonds: 14
H-donors: 3
H-acceptors: 10
PSA: 226
Number of rings: 6

     

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