COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195470
Chemical Name: (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cccc(c2Cl)Cl)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 468.27
Empirical Formula: C18H11Cl2N3O6S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.251
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 156
Number of rings: 3

     

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