General Information of the Compound
Compound ID
CP0101226
Compound Name
benzyl N-[(2S)-1-oxo-1-(2-oxoethylamino)-3-phenylpropan-2-yl]carbamate
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Structure
Formula
C19H20N2O4
Molecular Weight
340.379
Canonical SMILES
O=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
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InChI
InChI=1S/C19H20N2O4/c22-12-11-20-18(23)17(13-15-7-3-1-4-8-15)21-19(24)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)(H,21,24)/t17-/m0/s1
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InChIKey
HGCGAOORAMFLTO-KRWDZBQOSA-N
Physicochemical Property
logP
1.8392
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 15488851
ChEMBL ID
CHEMBL4218185
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
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 100000 nM