General Information of the Compound
Compound ID
CP0400024
Compound Name
N-[2-(2-chlorophenyl)ethyl]-N-piperidin-3-yl-4-propan-2-yloxybenzamide
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Structure
Formula
C23H29ClN2O2
Molecular Weight
400.95
Canonical SMILES
CC(C)Oc1ccc(cc1)C(=O)N(CCc1ccccc1Cl)C1CCCNC1
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InChI
InChI=1S/C23H29ClN2O2/c1-17(2)28-21-11-9-19(10-12-21)23(27)26(20-7-5-14-25-16-20)15-13-18-6-3-4-8-22(18)24/h3-4,6,8-12,17,20,25H,5,7,13-16H2,1-2H3
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InChIKey
WZFHNCFOXFZLRR-UHFFFAOYSA-N
Physicochemical Property
logP
4.5641
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44433041
ChEMBL ID
CHEMBL233606
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: PT02016, Membrane-bound transcription factor site-1 protease
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
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