EcoDrugPlus


Synonyms	AZD-2171 MALEATE AZD2171 MALEATE Cediranib maleat Cediranib maleate Recentin
Status
Molecule Category	Mixture
UNII	68AYS9A614

Synonyms

AZD-2171 MALEATE

AZD2171 MALEATE

Cediranib maleat

Cediranib maleate

Recentin

Status

Molecule Category

Mixture

UNII

68AYS9A614


InChI Key	JRMGHBVACUJCRP-BTJKTKAUSA-N
Smiles	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1.O=C(O)/C=C\C(=O)O
InChI	InChI=1S/C25H27FN4O3.C4H4O4/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30;5-3(6)1-2-4(7)8/h6-7,12-15,29H,3-5,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChI Key

JRMGHBVACUJCRP-BTJKTKAUSA-N

Smiles

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1.O=C(O)/C=C\C(=O)O

InChI

InChI=1S/C25H27FN4O3.C4H4O4/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30;5-3(6)1-2-4(7)8/h6-7,12-15,29H,3-5,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Property Name	Value
Molecular Formula	C29H31FN4O7
Molecular Weight	566.59
AlogP	5.22
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	72.5
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C29H31FN4O7

Molecular Weight

566.59

AlogP

5.22

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

72.5

Molecular species

BASE

Aromatic Rings

4.0

Heavy Atoms

33.0

Resources	Reference
ChEMBL	CHEMBL2103798
FDA SRS	68AYS9A614
PubChem	11226834
SureChEMBL	SCHEMBL1218427

Resources

Reference

ChEMBL

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...

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Last update: Monday, 3 November 2025

CEDIRANIB MALEATE

Structure

Physicochemical Descriptors

Cross References