General Information of the Compound
| Compound ID |
CP0949382
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| Compound Name |
5-fluoro-1-(4-(3-methyl-1H-indazol-1-yl)benzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C25H18FN3O3
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| Molecular Weight |
427.435
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| Canonical SMILES |
Cc1nn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H18FN3O3/c1-15-18-5-2-3-7-21(18)29(27-15)17-11-9-16(10-12-17)13-28-14-19(25(31)32)24(30)23-20(26)6-4-8-22(23)28/h2-12,14H,13H2,1H3,(H,31,32)
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| InChIKey |
DAOXPFFBTLHWDG-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