COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK584781
Chemical Name: 8-[(E)-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=O)N(C)C(=O)N(C2=O)C)/C1=O

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Saltdata: HCl
Molecular Weight: 536.59
Empirical Formula: C27H32N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.166
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 130
Number of rings: 5

     

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