General Information of the Compound
| Compound ID |
CP0440995
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| Compound Name |
4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C25H31Cl2N3O4S
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| Molecular Weight |
540.513
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| Canonical SMILES |
CN(C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C25H31Cl2N3O4S/c1-18-3-6-22(7-4-18)35(32,33)28(2)25(31)30-13-9-19(10-14-30)29-15-11-20(12-16-29)34-21-5-8-23(26)24(27)17-21/h3-8,17,19-20H,9-16H2,1-2H3
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| InChIKey |
LPHIWCBAJGQIIF-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