COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712730
Chemical Name: (6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(ccc3C)[N+](=O)[O-])C)/C2=N)s1

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Molecular Weight: 454.53
Empirical Formula: C20H18N6O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.848
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 170
Number of rings: 4

     

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