General Information of the Compound
| Compound ID |
CP0577417
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| Compound Name |
1-[4-(3-fluoropyridin-4-yl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
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| Formula |
C22H23FN4O
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| Molecular Weight |
378.451
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| Canonical SMILES |
Fc1cnccc1N1CCN(CC1)C(=O)CCCc1cccc2ncccc12
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| InChI |
InChI=1S/C22H23FN4O/c23-19-16-24-11-9-21(19)26-12-14-27(15-13-26)22(28)8-2-5-17-4-1-7-20-18(17)6-3-10-25-20/h1,3-4,6-7,9-11,16H,2,5,8,12-15H2
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| InChIKey |
FMNVMERGTKCUQM-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