COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552002
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-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1c2CCN(Cc2c(c2c1OCO2)OC)C

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Molecular Weight: 765.28
Empirical Formula: C39H41ClN2O10S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 6.889
Rotatable bonds: 9
H-donors: 2
H-acceptors: 10
PSA: 167
Number of rings: 7

     

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