COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552228
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-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-[4-(methylsulfanyl)phenyl]pr
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(c1cc(OC)c(c(c1)OC)OC)N(C)C

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Molecular Weight: 769.31
Empirical Formula: C39H45ClN2O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.793
Rotatable bonds: 10
H-donors: 2
H-acceptors: 10
PSA: 167
Number of rings: 5

     

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