EcoDrugPlus


Synonyms	Cgc-11047 SL 11047 SL 47
Status
Molecule Category	Free-form
UNII	HU43305R7O

Synonyms

Cgc-11047

SL 11047

SL 47

Status

Molecule Category

Free-form

UNII

HU43305R7O


InChI Key	XFWLTFZLLXVKDY-WAYWQWQTSA-N
Smiles	CCNCCCNC/C=C\CNCCCNCC
InChI	InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5-

InChI Key

XFWLTFZLLXVKDY-WAYWQWQTSA-N

Smiles

CCNCCCNC/C=C\CNCCCNCC

InChI

InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5-

Property Name	Value
Molecular Formula	C14H32N4
Molecular Weight	256.44
AlogP	0.72
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	14.0
Polar Surface Area	48.12
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H32N4

Molecular Weight

256.44

AlogP

0.72

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

14.0

Polar Surface Area

48.12

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	206991-64-2
ChEMBL	CHEMBL142464
FDA SRS	HU43305R7O
PubChem	9822383
SureChEMBL	SCHEMBL2360444

Resources

Reference

CAS NUMBER

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

CGC-11047

Structure

Physicochemical Descriptors

Cross References