General Information of the Compound
| Compound ID |
CP0548983
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| Compound Name |
8-Fluoro-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid (3-phenyl-[1,2,4]thiadiazol-5-yl)-amide
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| Structure |
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| Formula |
C20H15FN4O2S
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| Molecular Weight |
394.431
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| Canonical SMILES |
Fc1cc2C(C(=O)Nc3nc(ns3)-c3ccccc3)C(=O)N3CCCc(c1)c23
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| InChI |
InChI=1S/C20H15FN4O2S/c21-13-9-12-7-4-8-25-16(12)14(10-13)15(19(25)27)18(26)23-20-22-17(24-28-20)11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2,(H,22,23,24,26)
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| InChIKey |
WFLAEKBUUZZTRA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound