galunisertib (Q27077768)

700874-72-2 (English)

18 November 2016

chemical formula

C₂₂H₁₉N₅O

1 reference

700874-72-2 (English)

18 November 2016

canonical SMILES

CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(=O)N

1 reference

700874-72-2 (English)

InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)

18 November 2016

Identifiers

InChI

1 reference

700874-72-2 (English)

18 November 2016

2 references

700874-72-2 (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

700874-72-2

2 references

Global Substance Registration System

UNII

3OKH1W5LZE

galunisertib (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=700874-72-2

9 April 2021

1 reference

Galunisertib (English)

18 November 2016

2 references

700874-72-2 (English)

18 November 2016

ChEBI ID

137064

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)

1 reference

GALUNISERTIB (English)

18 November 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

DTXCID00142853

0 references

Guide to Pharmacology Ligand ID

7797

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

7797

galunisertib (English)

18 November 2016

LY-2157299

0 references

DrugBank ID

DB11911

1 reference

Human Metabolome Database ID

HMDB0252603

2 references

based on heuristic

inferred from InChIKey

UNII

3OKH1W5LZE

2 references

Global Substance Registration System

UNII

3OKH1W5LZE

galunisertib (English)

18 November 2016