COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048487
Chemical Name: 1-(3,4-dimethylphenyl)-4-hydroxy-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Oc1nc(=O)n(c2c1C(N=C(N2)c1cccc(c1)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(c(c1)C)C

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Molecular Weight: 527.38
Empirical Formula: C22H15F6N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.271
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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