General Information of the Compound
| Compound ID |
CP0433278
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| Compound Name |
N-(3-cyanophenyl)sulfonyl-4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C24H26Cl2N4O4S
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| Molecular Weight |
537.469
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| Canonical SMILES |
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2cccc(c2)C#N)cc1Cl
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| InChI |
InChI=1S/C24H26Cl2N4O4S/c25-22-5-4-20(15-23(22)26)34-19-8-12-29(13-9-19)18-6-10-30(11-7-18)24(31)28-35(32,33)21-3-1-2-17(14-21)16-27/h1-5,14-15,18-19H,6-13H2,(H,28,31)
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| InChIKey |
NWUBEEIEKUQVJL-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