COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058160
Chemical Name: 5-[7-chloro-2-hydroxy-4-oxo-3-(prop-2-en-1-yl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-5-yl]-2,6-dioxo-3-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: C=CCn1c(O)nc2c(c1=O)C(c1c(O2)ccc(c1)Cl)c1c(=O)[nH]c(=O)n(c1[O-])CC=C

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Saltdata: NH4+
Molecular Weight: 455.83
Empirical Formula: C21H16ClN4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.659
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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