COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050334
Chemical Name: 1-heptyl-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: CCCCCCCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

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Molecular Weight: 371.48
Empirical Formula: C21H29N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.978
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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