General Information of the Compound
Compound ID
CP0391667
Compound Name
(2S)-N-hydroxy-4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanamide
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Structure
Formula
C14H21N3O3
Molecular Weight
279.34
Canonical SMILES
CC(C)C[C@H](NC(=O)Nc1ccccc1C)C(=O)NO
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InChI
InChI=1S/C14H21N3O3/c1-9(2)8-12(13(18)17-20)16-14(19)15-11-7-5-4-6-10(11)3/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
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InChIKey
YFYYARIPVYPKOB-LBPRGKRZSA-N
Physicochemical Property
logP
2.03662
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
90.46
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 71584427
SID: 163636563
ChEMBL ID
CHEMBL2332526
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 = 610 nM
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