General Information of the Compound
| Compound ID |
CP0247758
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| Compound Name |
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H28Cl2N2O3
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| Molecular Weight |
463.405
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| Canonical SMILES |
OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C24H28Cl2N2O3/c25-21-6-5-19(15-22(21)26)31-18-9-11-27(12-10-18)16-17-7-13-28(14-8-17)23-4-2-1-3-20(23)24(29)30/h1-6,15,17-18H,7-14,16H2,(H,29,30)
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| InChIKey |
UMSPPMMERAOIRT-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