General Information of the Compound
| Compound ID |
CP0186508
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| Compound Name |
4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-methoxy-phenoxy)-benzyl]-piperidin-4-yl}-amide
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| Structure |
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| Formula |
C31H37N3O3
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| Molecular Weight |
499.655
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| Canonical SMILES |
COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35)
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| InChIKey |
DWMQJCAMZAGHHZ-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
Protein ID: PT03816, C-C chemokine receptor type 8
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2