COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561830
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-{[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]amino}-2-oxoethyl)-3-(3,4,5-trimethox
Smiles: COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)/N=c\1/scc([nH]1)C

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Molecular Weight: 730.19
Empirical Formula: C34H36ClN3O11S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.18
Rotatable bonds: 10
H-donors: 3
H-acceptors: 11
PSA: 205
Number of rings: 5

     

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