General Information of the Compound
| Compound ID |
CP0087615
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| Compound Name |
2-[3-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-2-phenylacetic acid
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| Structure |
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| Formula |
C25H30Cl2N2O3
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| Molecular Weight |
477.432
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| Canonical SMILES |
OC(=O)C(N1CCCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1
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| InChI |
InChI=1S/C25H30Cl2N2O3/c26-22-9-8-21(15-23(22)27)32-20-10-13-28(14-11-20)16-18-5-4-12-29(17-18)24(25(30)31)19-6-2-1-3-7-19/h1-3,6-9,15,18,20,24H,4-5,10-14,16-17H2,(H,30,31)
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| InChIKey |
FLDDBSYUKQDTDX-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2