General Information of the Compound
| Compound ID |
CP0446252
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| Compound Name |
N-(benzenesulfonyl)-4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C23H27Cl2N3O4S
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| Molecular Weight |
512.459
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| Canonical SMILES |
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C23H27Cl2N3O4S/c24-21-7-6-19(16-22(21)25)32-18-10-14-27(15-11-18)17-8-12-28(13-9-17)23(29)26-33(30,31)20-4-2-1-3-5-20/h1-7,16-18H,8-15H2,(H,26,29)
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| InChIKey |
MFJWXRIWIGLCGD-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