General Information of the Compound
Compound ID
CP0806435
Compound Name
4-(3-Butoxy-propyl)-1H-imidazole; compound with (Z)-but-2-enedioic acid
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Structure
Formula
C14H22N2O5
Molecular Weight
298.339
Canonical SMILES
CCCCOCCCc1c[nH]cn1.O=C(O)/C=C\C(=O)O
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InChI
InChI=1S/C10H18N2O.C4H4O4/c1-2-3-6-13-7-4-5-10-8-11-9-12-10;5-3(6)1-2-4(7)8/h8-9H,2-7H2,1H3,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1-
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InChIKey
BTLQGBZEXLBAQO-BTJKTKAUSA-N
Physicochemical Property
logP
1.8708
Rotatable Bonds
9
Heavy Atom Count
21
Polar Areas
112.51
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
21

"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).

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PubChem ID
CID: 44323538
ChEMBL ID
CHEMBL314526
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 311 nM
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