General Information of the Compound
| Compound ID |
CP0406634
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| Compound Name |
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrazolo[4,3-c]quinolin-3-one
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| Structure |
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| Formula |
C21H16FN5O
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| Molecular Weight |
373.391
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cn2cc3c(n[nH]c3=O)c3ccccc23)c(F)c1
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| InChI |
InChI=1S/C21H16FN5O/c1-26-10-15(9-23-26)13-6-7-14(18(22)8-13)11-27-12-17-20(24-25-21(17)28)16-4-2-3-5-19(16)27/h2-10,12H,11H2,1H3,(H,25,28)
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| InChIKey |
KKXPLGBFNYGNDY-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