COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032774
Chemical Name: (6Z)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1cc(ccc1C)[N+](=O)[O-])C)C(F)(F)F

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Molecular Weight: 476.44
Empirical Formula: C20H15F3N6O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.339
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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