General Information of the Compound
| Compound ID |
CP0414444
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| Compound Name |
4-[1-(2-fluorophenyl)pyrazol-4-yl]quinoline
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| Structure |
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| Formula |
C18H12FN3
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| Molecular Weight |
289.313
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| Canonical SMILES |
Fc1ccccc1-n1cc(cn1)-c1ccnc2ccccc12
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| InChI |
InChI=1S/C18H12FN3/c19-16-6-2-4-8-18(16)22-12-13(11-21-22)14-9-10-20-17-7-3-1-5-15(14)17/h1-12H
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| InChIKey |
GYLQALWWVWBMCV-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