COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037272
Chemical Name: 7-{4-[(3-chlorophenyl)carbonyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCc1n[nH]/c(=N\C(=O)c2cn(C3CC3)c3c(c2=O)cc(c(c3)N2CCN(CC2)C(=O)c2cccc(c2)Cl)F)/s1

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Molecular Weight: 595.1
Empirical Formula: C29H28ClFN6O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.703
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 122
Number of rings: 6

     

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