General Information of the Compound
Compound ID
CP0557849
Compound Name
1-[(4-bromophenyl)carbamoylamino]-N-pyridin-2-ylcyclopentane-1-carboxamide
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Formula
C18H19BrN4O2
Molecular Weight
403.28
Canonical SMILES
Brc1ccc(NC(=O)NC2(CCCC2)C(=O)Nc2ccccn2)cc1
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InChI
InChI=1S/C18H19BrN4O2/c19-13-6-8-14(9-7-13)21-17(25)23-18(10-2-3-11-18)16(24)22-15-5-1-4-12-20-15/h1,4-9,12H,2-3,10-11H2,(H,20,22,24)(H2,21,23,25)
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InChIKey
HEHNOBXAXWDFQT-UHFFFAOYSA-N
Physicochemical Property
logP
3.9171
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
83.12
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
25

"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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ChEMBL ID
CHEMBL4752145
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: PT02590, N-formyl peptide receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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