General Information of the Compound
| Compound ID |
CP0515348
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| Compound Name |
2-[3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C25H28Cl2N2O5
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| Molecular Weight |
507.414
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| Canonical SMILES |
OC(=O)COc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H28Cl2N2O5/c26-22-5-4-21(15-23(22)27)34-19-8-12-28(13-9-19)18-6-10-29(11-7-18)25(32)17-2-1-3-20(14-17)33-16-24(30)31/h1-5,14-15,18-19H,6-13,16H2,(H,30,31)
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| InChIKey |
AEWQIKDEAWAPPV-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: PT01206, Histamine H1 receptor