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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1578694
CHEMBL1578694
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15N3O

Additional synonyms for CHEMBL1578694 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(NC(=O)NCc2ccccn2)cc1
Standard InChI InChI=1S/C14H15N3O/c1-11-5-7-12(8-6-11)17-14(18)16-10-13-4-2 ...
Download InChI
Standard InChI Key HOGKDEGSFNCKPD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1578694

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
241.3 241.1215 2.71 3 54.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.67 4.98 1.95 1.94 2 18 0.87

Structural Alerts

There are no structural alerts for CHEMBL1578694

Compound Cross References

ChemSpider ChemSpider:HOGKDEGSFNCKPD-UHFFFAOYSA-N
PubChem SID: 24796748

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1578694



eMolecules 2293031
Mcule MCULE-3111101579
MolPort MolPort-002-108-485
Nikkaji J1.078.654A
PubChem 2560368
ZINC ZINC000012476076

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