General Information of the Compound
Compound ID
CP0368441
Compound Name
benzyl N-[(1S)-2-[(3-fluoro-2-oxopropyl)amino]-2-oxo-1-phenylethyl]carbamate
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Structure
Formula
C19H19FN2O4
Molecular Weight
358.369
Canonical SMILES
FCC(=O)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
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InChI
InChI=1S/C19H19FN2O4/c20-11-16(23)12-21-18(24)17(15-9-5-2-6-10-15)22-19(25)26-13-14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,21,24)(H,22,25)/t17-/m0/s1
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InChIKey
MMINGQDIKWOKRT-KRWDZBQOSA-N
Physicochemical Property
logP
2.3089
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 155559304
ChEMBL ID
CHEMBL4563886
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 > 100000 nM
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