EcoDrugPlus


Synonyms	TRO 40303 TRO40303 Tro-40303 Tro40303
Status
Molecule Category	Free-form
UNII	3W389841RN

Synonyms

TRO 40303

TRO40303

Tro-40303

Tro40303

Status

Molecule Category

Free-form

UNII

3W389841RN


InChI Key	OBKBVSFXEIFOMS-YVABUZGXSA-N
Smiles	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC/C(=N\O)[C@](C)(CCCO)[C@H]3CC[C@]12C
InChI	InChI=1S/C26H47NO2/c1-18(2)8-6-9-19(3)21-11-12-22-20-10-13-24(27-29)26(5,15-7-17-28)23(20)14-16-25(21,22)4/h18-23,28-29H,6-17H2,1-5H3/b27-24+/t19-,20+,21-,22+,23+,25-,26-/m1/s1

InChI Key

OBKBVSFXEIFOMS-YVABUZGXSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC/C(=N\O)[C@](C)(CCCO)[C@H]3CC[C@]12C

InChI

InChI=1S/C26H47NO2/c1-18(2)8-6-9-19(3)21-11-12-22-20-10-13-24(27-29)26(5,15-7-17-28)23(20)14-16-25(21,22)4/h18-23,28-29H,6-17H2,1-5H3/b27-24+/t19-,20+,21-,22+,23+,25-,26-/m1/s1

Property Name	Value
Molecular Formula	C26H47NO2
Molecular Weight	405.67
AlogP	6.91
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	52.82
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C26H47NO2

Molecular Weight

405.67

AlogP

6.91

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

52.82

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL4297500
DrugBank	DB16031
FDA SRS	3W389841RN
PubChem	117902620
SureChEMBL	SCHEMBL16506095

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

TRO-40303

Structure

Physicochemical Descriptors

Cross References