General Information of the Compound
| Compound ID |
CP0389917
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| Compound Name |
N-[[1-(4-fluoropiperidin-1-yl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C28H35FN6O2
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| Molecular Weight |
506.626
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| Canonical SMILES |
FC1CCN(CC1)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1
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| InChI |
InChI=1S/C28H35FN6O2/c29-22-11-17-35(18-12-22)28(13-3-4-14-28)19-30-27(36)34-15-9-21(10-16-34)26-32-25(33-37-26)24-8-7-20-5-1-2-6-23(20)31-24/h1-2,5-8,21-22H,3-4,9-19H2,(H,30,36)
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| InChIKey |
NYTHJBYJEWQHAH-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