EcoDrugPlus


Synonyms	BAY G 2821 BAY-G 2821 BAY-G-2821 Edrul Muzolimine
Status
Molecule Category	Free-form
ATC	C03CD01
UNII	07Z36289ZX

Synonyms

BAY G 2821

BAY-G 2821

BAY-G-2821

Edrul

Muzolimine

Status

Molecule Category

Free-form

ATC

C03CD01

UNII

07Z36289ZX


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


InChI Key	RLWRMIYXDPXIEX-UHFFFAOYSA-N
Smiles	CC(c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O
InChI	InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)

InChI Key

RLWRMIYXDPXIEX-UHFFFAOYSA-N

Smiles

CC(c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O

InChI

InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)

Property Name	Value
Molecular Formula	C11H11Cl2N3O
Molecular Weight	272.13
AlogP	2.56
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	58.69
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C11H11Cl2N3O

Molecular Weight

272.13

AlogP

2.56

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

58.69

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

17.0

Resources	Reference
ChEBI	135124
ChEMBL	CHEMBL1697760
DrugBank	DB13801
DrugCentral	1858
FDA SRS	07Z36289ZX
PubChem	41386
SureChEMBL	SCHEMBL123392

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL


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).

MUZOLIMINE

Structure

Physicochemical Descriptors

Cross References