COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549815
Chemical Name: 7-chloro-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-1',5',8',9'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4'(3'H)-trione
Smiles: COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc2c(c1)OCCO2)c(=O)n(c(=O)n3C)C)Cl

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Molecular Weight: 622.03
Empirical Formula: C31H28ClN3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.161
Rotatable bonds: 4
H-donors: 1
H-acceptors: 9
PSA: 136
Number of rings: 7

     

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