General Information of the Compound
Compound ID
CP0472906
Compound Name
(2S)-2-[(2-bromophenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
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Structure
Formula
C13H18BrN3O3
Molecular Weight
344.209
Canonical SMILES
CC(C)C[C@H](NC(=O)Nc1ccccc1Br)C(=O)NO
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InChI
InChI=1S/C13H18BrN3O3/c1-8(2)7-11(12(18)17-20)16-13(19)15-10-6-4-3-5-9(10)14/h3-6,8,11,20H,7H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
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InChIKey
UMAQQBGVOXNMKJ-NSHDSACASA-N
Physicochemical Property
logP
2.4907
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: 71584426
SID: 163636562
ChEMBL ID
CHEMBL2332525
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 = 530 nM
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