General Information of the Compound
| Compound ID |
CP0498806
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| Compound Name |
N-[[1-(piperidine-1-carbonyl)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 |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
O=C(NCC1(CCCC1)C(=O)N1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C29H36N6O3/c36-27(34-16-6-1-7-17-34)29(14-4-5-15-29)20-30-28(37)35-18-12-22(13-19-35)26-32-25(33-38-26)24-11-10-21-8-2-3-9-23(21)31-24/h2-3,8-11,22H,1,4-7,12-20H2,(H,30,37)
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| InChIKey |
VOMUDECPLXAVHE-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