General Information of the Compound
Compound ID
CP0654974
Compound Name
(Hydroxy-naphthalen-2-yl-methyl)-phosphonic acid
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Structure
Formula
C11H11O4P
Molecular Weight
238.179
Canonical SMILES
O=P(O)(O)C(O)c1ccc2ccccc2c1
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InChI
InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12H,(H2,13,14,15)
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InChIKey
AMJJLDJPDLKNJA-UHFFFAOYSA-N
CAS
120943-99-9
Physicochemical Property
logP
2.0084
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
77.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 129317
ChEMBL ID
CHEMBL26001
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: PT01101, Insulin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 95000 nM
   TI
   LI
   LO
   TS