COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049180
Chemical Name: 1-(3-methoxyphenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: COc1cccc(c1)N1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[O-]

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Molecular Weight: 379.42
Empirical Formula: C21H21N3O4

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 2.457
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 86
Number of rings: 4

     

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