General Information of the Compound
| Compound ID |
CP0397450
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| Compound Name |
2-[3-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]phenoxy]acetic acid
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| Structure |
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| Formula |
C25H30Cl2N2O4
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| Molecular Weight |
493.431
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| Canonical SMILES |
OC(=O)COc1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C25H30Cl2N2O4/c26-23-5-4-22(15-24(23)27)33-20-8-10-28(11-9-20)16-18-6-12-29(13-7-18)19-2-1-3-21(14-19)32-17-25(30)31/h1-5,14-15,18,20H,6-13,16-17H2,(H,30,31)
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| InChIKey |
VLUYCVQWTQUWPI-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