General Information of the Compound
Compound ID
CP0551517
Compound Name
N-[(2S)-1-[(3-fluoro-2-oxopropyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
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Structure
Formula
C24H23FN2O3
Molecular Weight
406.457
Canonical SMILES
CN(CC(=O)CF)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12
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InChI
InChI=1S/C24H23FN2O3/c1-27(16-19(28)15-25)24(30)22(14-17-8-3-2-4-9-17)26-23(29)21-13-7-11-18-10-5-6-12-20(18)21/h2-13,22H,14-16H2,1H3,(H,26,29)/t22-/m0/s1
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InChIKey
PNKSUWWDEJNUPG-QFIPXVFZSA-N
Physicochemical Property
logP
3.1779
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 155542187
ChEMBL ID
CHEMBL4520585
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 = 130 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 210 nM