General Information of the Compound
| Compound ID |
CP0446251
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| Compound Name |
N-(4-chlorophenyl)sulfonyl-4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C23H26Cl3N3O4S
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| Molecular Weight |
546.904
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H26Cl3N3O4S/c24-16-1-4-20(5-2-16)34(31,32)27-23(30)29-11-7-17(8-12-29)28-13-9-18(10-14-28)33-19-3-6-21(25)22(26)15-19/h1-6,15,17-18H,7-14H2,(H,27,30)
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| InChIKey |
LKFICSFQSQYFJF-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