COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK782251
Chemical Name: 3-methyl-8-nitro-1'-(prop-2-en-1-yl)-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Smiles: C=CCN1C(=S)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CC(C)CC1)[N+](=O)[O-]

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Molecular Weight: 414.49
Empirical Formula: C20H22N4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.723
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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