COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK785399
Chemical Name: 3-(1,3-benzothiazol-2-yl)-1',3'-dimethyl-8-nitro-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: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1nc2c(s1)cccc2)[N+](=O)[O-]

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Molecular Weight: 506.54
Empirical Formula: C24H22N6O5S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 2.351
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 151
Number of rings: 6

     

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