General Information of the Compound
Compound ID
CP0906772
Compound Name
3-{[10-(Dimethylamino)decanoyl](hydroxy)amino}propanoic acid Hydrochloride
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Structure
Formula
C15H31ClN2O4
Molecular Weight
338.876
Canonical SMILES
CN(C)CCCCCCCCCC(=O)N(O)CCC(=O)O.Cl
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InChI
InChI=1S/C15H30N2O4.ClH/c1-16(2)12-9-7-5-3-4-6-8-10-14(18)17(21)13-11-15(19)20;/h21H,3-13H2,1-2H3,(H,19,20);1H
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InChIKey
WWLPYEGNHQEHQU-UHFFFAOYSA-N
Physicochemical Property
logP
2.7831
Rotatable Bonds
13
Heavy Atom Count
22
Polar Areas
81.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 46899608
SID: 99352926
ChEMBL ID
CHEMBL1215520
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: PT02612, Egl nine homolog 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01988, Prolyl hydroxylase EGLN2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS