COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568742
Chemical Name: (5Z)-1-(4-methylphenyl)-4,6-dioxo-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-9-ylmethylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc3CCC[NH+]4c3c(c2)CCC4)/C1=O)[S-]

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Molecular Weight: 417.53
Empirical Formula: C24H23N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.597
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 54
Number of rings: 5

     

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