EcoDrugPlus


Synonyms	Bfpet
Status
Molecule Category	UNKNOWN

Synonyms

Bfpet

Status

Molecule Category

UNKNOWN


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	QWPLCHDPESWJRN-UHFFFAOYSA-N
Smiles	Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI	InChI=1S/C24H19FP/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1

InChI Key

QWPLCHDPESWJRN-UHFFFAOYSA-N

Smiles

Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

InChI

InChI=1S/C24H19FP/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1

Property Name	Value
Molecular Formula	C24H19FP+
Molecular Weight	357.39
AlogP	4.45
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	4.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	4.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C24H19FP+

Molecular Weight

357.39

AlogP

4.45

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

4.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

4.0

Heavy Atoms

26.0

Resources	Reference
ChEMBL	CHEMBL2221306

Resources

Reference

ChEMBL

CHEMBL2221306


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

BFPET

Structure

Physicochemical Descriptors

Related Entries

Cross References