General Information of the Compound
Compound ID
CP0224681
Compound Name
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
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Structure
Formula
C18H23FN2O3
Molecular Weight
334.391
Canonical SMILES
FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
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InChI
InChI=1S/C18H23FN2O3/c19-11-15(22)12-20-18(24)16(10-13-6-2-1-3-7-13)21-17(23)14-8-4-5-9-14/h1-3,6-7,14,16H,4-5,8-12H2,(H,20,24)(H,21,23)/t16-/m0/s1
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InChIKey
NMKUSEKCUHOFJO-INIZCTEOSA-N
Physicochemical Property
logP
1.5589
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 155560587
ChEMBL ID
CHEMBL4569375
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: PT03845, Cysteine protease ATG4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 4060 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1860 nM