COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057346
Chemical Name: 1-[2-(cyclohex-1-en-1-yl)ethyl]-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)CCC1=CCCCC1)[O-]

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Molecular Weight: 381.47
Empirical Formula: C22H27N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.712
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 77
Number of rings: 4

     

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