COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372580
Chemical Name: (5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COCCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 428.47
Empirical Formula: C20H20N4O5S

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 3.026
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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