General Information of the Compound
Compound ID
CP0553343
Compound Name
1-[(4-bromophenyl)carbamoylamino]-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
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Formula
C19H24BrN5O2
Molecular Weight
434.338
Canonical SMILES
CC(C)n1cc(NC(=O)C2(CCCC2)NC(=O)Nc2ccc(Br)cc2)cn1
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InChI
InChI=1S/C19H24BrN5O2/c1-13(2)25-12-16(11-21-25)22-17(26)19(9-3-4-10-19)24-18(27)23-15-7-5-14(20)6-8-15/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,26)(H2,23,24,27)
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InChIKey
NUHWESDXRIWNIQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2995
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
88.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
27

"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
CHEMBL4761559
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 = 4150 nM
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