COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551714
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-{[(7-chloro-4-hydroxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-3-[4-(methylsulfany
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(cc2)Cl

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Molecular Weight: 784.74
Empirical Formula: C37H35Cl2N3O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.034
Rotatable bonds: 12
H-donors: 3
H-acceptors: 8
PSA: 207
Number of rings: 6

     

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