COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK064197
Chemical Name: (5E)-5-{3,5-dichloro-4-[(4-nitrobenzyl)oxy]benzylidene}-1-[4-(propan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 554.39
Empirical Formula: C27H21Cl2N3O6

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.445
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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