COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552608
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]-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC1N(C)CCc2c1c(OC)c1c(c2)OCO1

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Molecular Weight: 765.21
Empirical Formula: C39H41ClN2O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.628
Rotatable bonds: 12
H-donors: 3
H-acceptors: 12
PSA: 171
Number of rings: 7

     

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