General Information of the Compound
| Compound ID |
CP0492137
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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 (5-methyl-thiazol-2-yl)-amide
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| Structure |
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| Formula |
C16H14FN3O2S
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| Molecular Weight |
331.372
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| Canonical SMILES |
Cc1cnc(NC(=O)C2C(=O)N3CCCc4cc(F)cc2c34)s1
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| InChI |
InChI=1S/C16H14FN3O2S/c1-8-7-18-16(23-8)19-14(21)12-11-6-10(17)5-9-3-2-4-20(13(9)11)15(12)22/h5-7,12H,2-4H2,1H3,(H,18,19,21)
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| InChIKey |
MRKCGIILFYOCRR-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