General Information of the Compound
Compound ID
CP0434043
Compound Name
(2S)-N-hydroxy-2-[(2-methoxyphenyl)carbamoylamino]-4-methylpentanamide
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Structure
Formula
C14H21N3O4
Molecular Weight
295.339
Canonical SMILES
COc1ccccc1NC(=O)N[C@@H](CC(C)C)C(=O)NO
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InChI
InChI=1S/C14H21N3O4/c1-9(2)8-11(13(18)17-20)16-14(19)15-10-6-4-5-7-12(10)21-3/h4-7,9,11,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
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InChIKey
XWQCVUORBFXWIH-NSHDSACASA-N
Physicochemical Property
logP
1.7368
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
99.69
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 71584428
SID: 163636564
ChEMBL ID
CHEMBL2332527
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: PT01820, Aminopeptidase N
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000377 ES-2 Homo sapiens (Human)  1
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 1000000 nM
   TI
   LI
   LO
   TS