COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551972
Chemical Name: 3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-N-{4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1
Smiles: CSCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC

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Molecular Weight: 836.43
Empirical Formula: C42H46ClN3O9S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.619
Rotatable bonds: 11
H-donors: 2
H-acceptors: 9
PSA: 202
Number of rings: 7

     

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