General Information of the Compound
| Compound ID |
CP0457063
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| Compound Name |
3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]benzoic acid
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| Structure |
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| Formula |
C24H26Cl2N2O4
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| Molecular Weight |
477.388
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| Canonical SMILES |
OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H26Cl2N2O4/c25-21-5-4-20(15-22(21)26)32-19-8-12-27(13-9-19)18-6-10-28(11-7-18)23(29)16-2-1-3-17(14-16)24(30)31/h1-5,14-15,18-19H,6-13H2,(H,30,31)
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| InChIKey |
CSSKAGWIWQOQME-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2