COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL224954
Chemical Name: (6E)-6-{[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)[N+](=O)[O-])Cl)C)/C2=N)s1

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Molecular Weight: 498.99
Empirical Formula: C23H23ClN6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.869
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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