silmitasertib (Q27076934)

1009820-21-6 (English)

19 October 2016

chemical formula

C₁₉H₁₂ClN₃O₂

1 reference

1009820-21-6 (English)

20 November 2016

canonical SMILES

C1=CC(=CC(=C1)Cl)NC2=C3C=CN=CC3=C4C=CC(=CC4=N2)C(=O)O

1 reference

1009820-21-6 (English)

InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)

20 November 2016

Identifiers

InChI

1 reference

1009820-21-6 (English)

MUOKSQABCJCOPU-UHFFFAOYSA-N

20 November 2016

InChIKey

1 reference

Global Substance Registration System

1009820-21-6 (English)

20 November 2016

1 reference

UNII

C6RWP0N0L2

silmitasertib (English)

20 November 2016

1 reference

5-[(3-Chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid (English)

20 November 2016

1 reference

1009820-21-6 (English)

20 November 2016

1 reference

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

SILMITASERTIB (English)

20 November 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID9066093

0 references

Guide to Pharmacology Ligand ID

8126

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8126

CX-4945 (English)

20 November 2016

1 reference

6 July 2021

CAS no.: 1009820-21-6 (English)

Human Metabolome Database ID

Silmitasertib (English)

HMDB0244287

1 reference

based on heuristic

inferred from InChIKey

UNII

C6RWP0N0L2

1 reference

stated in

Global Substance Registration System

UNII

C6RWP0N0L2

Google Knowledge Graph ID

silmitasertib (English)

20 November 2016

0 references

0 references

0 references

1 reference

3NGA (English)

19 October 2016

1 reference

3PE1 (English)