COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL513878
Chemical Name: 1-hexyl-5-[(9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCCCCCN1C(=S)NC(=O)/C(=C\c2c(=O)oc3c(c2C)cc2c4c3CCCN4CCC2)/C1=O

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Molecular Weight: 493.63
Empirical Formula: C27H31N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.338
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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