COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK188218
Chemical Name: (5E)-1-(4-chlorophenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 453.86
Empirical Formula: C21H12ClN3O5S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 4.791
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 4

     

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