General Information of the Compound
Compound ID
CP0378229
Compound Name
(2S,4R)-4-pentylglutamic acid
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Structure
Formula
C10H19NO4
Molecular Weight
217.265
Canonical SMILES
CCCCC[C@H](C[C@H](N)C(O)=O)C(O)=O
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InChI
InChI=1S/C10H19NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,8+/m1/s1
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InChIKey
BKBDKDBPUAZQBT-SFYZADRCSA-N
Physicochemical Property
logP
1.0695
Rotatable Bonds
8
Heavy Atom Count
15
Polar Areas
100.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 10680281
SID: 15713479
ChEMBL ID
CHEMBL58027
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: PT01518, Glutamate receptor ionotropic, kainate 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 267 nM
   TI
   LI
   LO
   TS
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 41152 nM
   TI
   LI
   LO
   TS