COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK092574
Chemical Name: (5E)-1-(4-chlorophenyl)-5-[(2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C\C=C\c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 397.77
Empirical Formula: C19H12ClN3O5

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 2.943
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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