EcoDrugPlus


Synonyms	Cytosine Lamivudine impurity c Lamivudine impurity c rs NSC-27787
Status
Molecule Category	UNKNOWN
UNII	8J337D1HZY
EPA CompTox	DTXSID4044456

Synonyms

Cytosine

Lamivudine impurity c

Lamivudine impurity c rs

NSC-27787

Status

Molecule Category

UNKNOWN

UNII

8J337D1HZY

EPA CompTox

DTXSID4044456


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


InChI Key	OPTASPLRGRRNAP-UHFFFAOYSA-N
Smiles	Nc1cc[nH]c(=O)n1
InChI	InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

InChI Key

OPTASPLRGRRNAP-UHFFFAOYSA-N

Smiles

Nc1cc[nH]c(=O)n1

InChI

InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

Property Name	Value
Molecular Formula	C4H5N3O
Molecular Weight	111.1
AlogP	-0.65
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	71.77
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H5N3O

Molecular Weight

111.1

AlogP

-0.65

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

0.0

Polar Surface Area

71.77

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

8.0

Resources	Reference
ChEBI	16040
ChEMBL	CHEMBL15913
FDA SRS	8J337D1HZY
Human Metabolome Database	HMDB0000630
Guide to Pharmacology	8490
KEGG	C00380
PDB	CYT
PubChem	597
SureChEMBL	SCHEMBL4059
ZINC	ZINC000000895210

Resources

Reference

ChEBI

16040

ChEMBL

CHEMBL15913

FDA SRS

8J337D1HZY

Human Metabolome Database

HMDB0000630

Guide to Pharmacology

KEGG

PDB

PubChem

SureChEMBL

ZINC


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).

CYTOSINE

Structure

Physicochemical Descriptors

Cross References