General Information of the Compound
| Compound ID |
CP0191333
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| Compound Name |
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C23H27Cl2N3O3
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| Molecular Weight |
464.393
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| Canonical SMILES |
OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C23H27Cl2N3O3/c24-20-4-3-18(14-21(20)25)31-17-7-10-27(11-8-17)15-16-5-12-28(13-6-16)22-19(23(29)30)2-1-9-26-22/h1-4,9,14,16-17H,5-8,10-13,15H2,(H,29,30)
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| InChIKey |
ROQGCKBWSKAVEH-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