EcoDrugPlus


Synonyms	Mafosfamide
Status
Molecule Category	UNKNOWN
UNII	5970HH9923

Synonyms

Mafosfamide

Status

Molecule Category

UNKNOWN

UNII

5970HH9923


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


InChI Key	PBUUPFTVAPUWDE-UHFFFAOYSA-N
Smiles	O=P1(N(CCCl)CCCl)NC(SCCS(=O)(=O)O)CCO1
InChI	InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)

InChI Key

PBUUPFTVAPUWDE-UHFFFAOYSA-N

Smiles

O=P1(N(CCCl)CCCl)NC(SCCS(=O)(=O)O)CCO1

InChI

InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)

Property Name	Value
Molecular Formula	C9H19Cl2N2O5PS2
Molecular Weight	401.27
AlogP	1.83
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	95.94
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C9H19Cl2N2O5PS2

Molecular Weight

401.27

AlogP

1.83

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

95.94

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

21.0

Resources	Reference
ChEMBL	CHEMBL59990
FDA SRS	5970HH9923
PubChem	76968809
SureChEMBL	SCHEMBL1652310

Resources

Reference

ChEMBL

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).

MAFOSFAMIDE

Structure

Physicochemical Descriptors

Cross References