EcoDrugPlus


Synonyms	Suvn-d4010
Status
Molecule Category	UNKNOWN
UNII	GNQ25KYD72

Synonyms

Suvn-d4010

Status

Molecule Category

UNKNOWN

UNII

GNQ25KYD72


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	DWTFBJGTRBMHPG-UHFFFAOYSA-N
Smiles	COCCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1
InChI	InChI=1S/C21H29N5O2/c1-15(2)26-18-8-5-4-7-17(18)19(24-26)21-23-22-20(28-21)16-9-12-25(13-10-16)11-6-14-27-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3

InChI Key

DWTFBJGTRBMHPG-UHFFFAOYSA-N

Smiles

COCCCN1CCC(c2nnc(-c3nn(C(C)C)c4ccccc34)o2)CC1

InChI

InChI=1S/C21H29N5O2/c1-15(2)26-18-8-5-4-7-17(18)19(24-26)21-23-22-20(28-21)16-9-12-25(13-10-16)11-6-14-27-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3

Property Name	Value
Molecular Formula	C21H29N5O2
Molecular Weight	383.5
AlogP	3.88
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	7.0
Polar Surface Area	69.21
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C21H29N5O2

Molecular Weight

383.5

AlogP

3.88

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

7.0

Polar Surface Area

69.21

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

28.0

Resources	Reference
ChEMBL	CHEMBL4297327
FDA SRS	GNQ25KYD72
SureChEMBL	SCHEMBL14810657

Resources

Reference

ChEMBL

CHEMBL4297327

FDA SRS

GNQ25KYD72

SureChEMBL

SCHEMBL14810657


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

SUVN-D4010

Structure

Physicochemical Descriptors

Cross References