COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054955
Chemical Name: 4-[5-hydroxy-7-oxo-8-phenyl-4,4-bis(trifluoromethyl)-1,4,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)C1=NC(c2c(N1)n(c1ccccc1)c(=O)nc2O)(C(F)(F)F)C(F)(F)F

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Molecular Weight: 479.34
Empirical Formula: C21H11F6N5O2

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 6.058
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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