COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551773
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-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl]-3-[4-(methylsulfanyl)ph
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC

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Molecular Weight: 778.28
Empirical Formula: C39H40ClN3O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.134
Rotatable bonds: 11
H-donors: 2
H-acceptors: 10
PSA: 187
Number of rings: 6

     

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