General Information of the Compound
Compound ID
CP0419114
Compound Name
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2,4-dimethoxyphenyl)benzamide
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Structure
Formula
C23H28N2O4
Molecular Weight
396.487
Canonical SMILES
COc1ccc(N(C(C)C(=O)NC2CCCC2)C(=O)c2ccccc2)c(OC)c1
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InChI
InChI=1S/C23H28N2O4/c1-16(22(26)24-18-11-7-8-12-18)25(23(27)17-9-5-4-6-10-17)20-14-13-19(28-2)15-21(20)29-3/h4-6,9-10,13-16,18H,7-8,11-12H2,1-3H3,(H,24,26)
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InChIKey
QWXDWEPEAHOPQE-UHFFFAOYSA-N
Physicochemical Property
logP
3.7979
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 44590402
ChEMBL ID
CHEMBL472258
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: PT02772, C5a anaphylatoxin chemotactic receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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