COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032771
Chemical Name: (6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(ccc3C)[N+](=O)[O-])C)/C2=N)s1

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Molecular Weight: 468.56
Empirical Formula: C21H20N6O3S2

Available Amount: 0 mg

Lipinsky:
logP: 4.379
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 170
Number of rings: 4

     

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