COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549783
Chemical Name: (2S,6'R)-7-chloro-9'-(2-hydroxyquinolin-3-yl)-4,6-dimethoxy-6'-methyl-4',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'-dione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cc3ccccc3nc1O)n1c(N2)ncn1)Cl

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Molecular Weight: 559.97
Empirical Formula: C28H22ClN5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.066
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 137
Number of rings: 7

     

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