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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL57394
CHEMBL57394
Compound Name
ChEMBL Synonyms 1-Naphthylamine | Naphthalen-1-ylamine
Max Phase 0
Trade Names
Molecular Formula C10H9N

Additional synonyms for CHEMBL57394 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc2ccccc12
Standard InChI InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
Standard InChI Key RUFPHBVGCFYCNW-UHFFFAOYSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL57394. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL57394

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
143.2 143.0735 1.99 0 26.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.21 2.32 2.32 2 11 0.56

Compound Cross References

ChemSpider ChemSpider:RUFPHBVGCFYCNW-UHFFFAOYSA-N
PubChem SID: 144208431 SID: 144213122 SID: 17389807
Wikipedia 1-Naphthylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL57394



ACToR 12262-09-8 25168-10-9 134-32-7
ChEBI 50450
eMolecules 499870
FDA SRS 9753I242R5
IBM Patent System 367F76570A3B0FCA7BB6D18EF7D87CBF
IBM Patents US6623534 US4152458 EP0425209A2 EP1996557A1 WO2001092256A1 WO2006000333A1 WO2006018412A1 US20040034049 WO2001087854A1 US4515940 EP0269953B1 WO1997016447A1 US7205345 US4725661 EP1564207B1 EP0336029A1 US5064855 WO2010144371A1 WO2007041593A2 EP1451352A2 EP0794167B1 US20100047709 US20050214696 WO2006006691A2 WO2001049638A2 US4343885 US20100310491 EP1736829A1 US20090296554 EP0062825A2 EP1346993B1 EP0487343B1 EP0332454A2 US4155916 EP0198206A1 EP0795548A1 WO2005105830A1 US20090202940 US20080176850 US20070123531 EP1954457A1 US20080070884 US20040002089 EP0626442A1 EP0497192A2 WO2000068184A1 US6159250 US20100105585 WO2009139886A2 EP0053819A1 EP2020302A1 US20030068590 EP1066284B1 EP1123292A1 US4395264 US20100113756 WO1995017472A1 WO2008133459A1 WO2008139058A2 WO1999040226A2 US6902612 US6458912 EP1412082A1 EP1532150B1 EP1885855A2 US20040185389 US5621084 US5055567 US20090186962 US7060414 EP0434348B1 US4524168 WO2004076421A1 US20020115557 US5124233 EP0187520A2 US20090012102 WO2008091594A2 EP1464691A2 US20080139639 US4888330 WO2002046254A1 US6884839 EP1726608A1 US20090042730 EP1894988A2 US4333874 US5612483 EP1447238B1 WO2008043846A2 US4719053 US7312347 WO1994017200A1 US20030039986 US7262000 EP0094079A1 US7279475 EP0659799A3 US7659348 US20040259912
KEGG Ligand C14790
Mcule MCULE-8686083679
MolPort MolPort-000-871-485
Nikkaji J2.528C
NMRShiftDB 10016010
PubChem 8640
PubChem: Thomson Pharma 15146745
SureChEMBL SCHEMBL9029
ZINC ZINC01673028

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RUFPHBVGCFYCNW-UHFFFAOYSA-N spacer
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