General Information of the Compound
Compound ID |
CP0484451
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Compound Name |
[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-[4-(2H-tetrazol-5-yl)phenyl]methanone
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Structure |
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Formula |
C24H26Cl2N6O2
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Molecular Weight |
501.418
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Canonical SMILES |
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)-c2nnn[nH]2)cc1Cl
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InChI |
InChI=1S/C24H26Cl2N6O2/c25-21-6-5-20(15-22(21)26)34-19-9-13-31(14-10-19)18-7-11-32(12-8-18)24(33)17-3-1-16(2-4-17)23-27-29-30-28-23/h1-6,15,18-19H,7-14H2,(H,27,28,29,30)
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InChIKey |
NQTXEWZDVUMZDO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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