General Information of the Compound
| Compound ID |
CP0429564
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| Compound Name |
1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C26H29FN4O2
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| Molecular Weight |
448.542
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCC(CC1)C(=O)C1CC1)C#N
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| InChI |
InChI=1S/C26H29FN4O2/c1-26(16-28)8-12-30(13-9-26)23-20-14-19(27)4-5-22(20)29-15-21(23)25(33)31-10-6-18(7-11-31)24(32)17-2-3-17/h4-5,14-15,17-18H,2-3,6-13H2,1H3
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| InChIKey |
SSSZCACYCPCWIL-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