General Information of the Compound
| Compound ID |
CP0397478
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| Compound Name |
2-[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)c1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H26Cl2N2O4/c25-21-6-5-18(15-22(21)26)32-17-9-13-27(14-10-17)16-7-11-28(12-8-16)23(29)19-3-1-2-4-20(19)24(30)31/h1-6,15-17H,7-14H2,(H,30,31)
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| InChIKey |
RIEFZSRXHBEIFW-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