COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK786835
Chemical Name: 1-(3,4-dimethylphenyl)-7-(3-nitrophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Cc1cc(ccc1C)n1c(=O)[nH]c(=O)c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 527.38
Empirical Formula: C22H15F6N5O4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.261
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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