EcoDrugPlus


Synonyms	Fluzoparib Fuzuloparib Fuzuopali HS-10160 HS10160 SHR-3162 SHR3162 Shr3162
Status
Molecule Category	Free-form
UNII	TWF0ML1CK8

Synonyms

Fluzoparib

Fuzuloparib

Fuzuopali

HS-10160

HS10160

SHR-3162

SHR3162

Shr3162

Status

Molecule Category

Free-form

UNII

TWF0ML1CK8


InChI Key	XJGXCBHXFWBOTN-UHFFFAOYSA-N
Smiles	O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1
InChI	InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)

InChI Key

XJGXCBHXFWBOTN-UHFFFAOYSA-N

Smiles

O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1

InChI

InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)

Property Name	Value
Molecular Formula	C22H16F4N6O2
Molecular Weight	472.4
AlogP	2.92
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	96.77
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C22H16F4N6O2

Molecular Weight

472.4

AlogP

2.92

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

96.77

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

34.0

Resources	Reference
ChEMBL	CHEMBL3930624
DrugBank	DB15637
FDA SRS	TWF0ML1CK8
PubChem	56649297
SureChEMBL	SCHEMBL10025553

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FLUZOPARIB

Structure

Physicochemical Descriptors

Cross References