General Information of the Compound
| Compound ID |
CP0512830
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| Compound Name |
N-(3-chloropyridin-2-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C22H19ClN6O2
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| Molecular Weight |
434.887
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| Canonical SMILES |
Clc1cccnc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C22H19ClN6O2/c23-16-5-3-11-24-19(16)27-22(30)29-12-9-15(10-13-29)21-26-20(28-31-21)18-8-7-14-4-1-2-6-17(14)25-18/h1-8,11,15H,9-10,12-13H2,(H,24,27,30)
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| InChIKey |
XWZUFZMCGJDPKJ-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