General Information of the Compound
Compound ID
CP0377597
Compound Name
CHEBI:1159
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Structure
Formula
C2H7O4P
Molecular Weight
126.048
Canonical SMILES
OCCP(O)(O)=O
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InChI
InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)
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InChIKey
SEHJHHHUIGULEI-UHFFFAOYSA-N
CAS
22987-21-9
Physicochemical Property
logP
-0.8436
Rotatable Bonds
2
Heavy Atom Count
7
Polar Areas
77.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
7

"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: 89954
SID: 57572679
ChEMBL ID
CHEMBL1229938
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: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
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