EcoDrugPlus


Synonyms	BAY-3427080 BAY3427080 Bay3427080 Elinzanetant NT-814
Status
Molecule Category	Free-form
UNII	NZW2BOW35N

Synonyms

BAY-3427080

BAY3427080

Bay3427080

Elinzanetant

NT-814

Status

Molecule Category

Free-form

UNII

NZW2BOW35N


InChI Key	DWRIJNIPBUFCQS-DQEYMECFSA-N
Smiles	Cc1cc(F)ccc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1

InChI Key

DWRIJNIPBUFCQS-DQEYMECFSA-N

Smiles

Cc1cc(F)ccc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChI

InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1

Property Name	Value
Molecular Formula	C33H35F7N4O3
Molecular Weight	668.65
AlogP	6.06
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	69.14
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	47.0

Property Name

Value

Molecular Formula

C33H35F7N4O3

Molecular Weight

668.65

AlogP

6.06

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

69.14

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

47.0

Resources	Reference
ChEMBL	CHEMBL4802157
FDA SRS	NZW2BOW35N

Resources

Reference

ChEMBL

CHEMBL4802157

FDA SRS

NZW2BOW35N

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

ELINZANETANT

Structure

Physicochemical Descriptors

Cross References