General Information of the Compound
Compound ID
CP0579527
Compound Name
diphenyl hydrogen phosphate
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Structure
Formula
C12H11O4P
Molecular Weight
250.19
Canonical SMILES
OP(=O)(Oc1ccccc1)Oc1ccccc1
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InChI
InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
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InChIKey
ASMQGLCHMVWBQR-UHFFFAOYSA-N
CAS
838-85-7
53396-64-8
Physicochemical Property
logP
3.2448
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
55.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 13282
SID: 14823434
ChEMBL ID
CHEMBL3186576
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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