General Information of the Compound
Compound ID
CP0556596
Compound Name
US9029381, 45
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Structure
Formula
C15H24N4O
Molecular Weight
276.384
Canonical SMILES
CC(C)N1CCN(CC1)C(=O)C1CC1c1cnn(C)c1
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InChI
InChI=1S/C15H24N4O/c1-11(2)18-4-6-19(7-5-18)15(20)14-8-13(14)12-9-16-17(3)10-12/h9-11,13-14H,4-8H2,1-3H3
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InChIKey
OEJPPFBXSAOLTO-UHFFFAOYSA-N
Physicochemical Property
logP
1.0762
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 25196905
SID: 57306503
ChEMBL ID
CHEMBL3677903
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 127.3 nM
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