COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197686
Chemical Name: (5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(c2ccccc2)C(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C(=O)N1c1ccc(c(c1)C)C

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Molecular Weight: 550.64
Empirical Formula: C31H26N4O4S

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 7.203
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 123
Number of rings: 5

     

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