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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1650268
CHEMBL1650268
Compound Name PHTHALAZINE
ChEMBL Synonyms Phthalazine
Max Phase 0
Trade Names
Molecular Formula C8H6N2

Additional synonyms for CHEMBL1650268 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2cnncc2c1
Standard InChI InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
Standard InChI Key LFSXCDWNBUNEEM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1650268

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
130.2 130.0531 1.63 0 25.78 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.47 .68 .68 2 10 0.54

Structural Alerts

There are no structural alerts for CHEMBL1650268

Compound Cross References

ChemSpider ChemSpider:LFSXCDWNBUNEEM-UHFFFAOYSA-N
PubChem SID: 144210105

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1650268



ACToR 253-52-1
Brenda 123516 3091 51259
ChEBI 36597
eMolecules 593504
EPA CompTox Dashboard DTXSID9049407
FDA SRS 91Y28DM24N
IBM Patent System 8EDBF100AA6F8EF00BF2942906700B3E
Mcule MCULE-7771013743
MolPort MolPort-001-770-743
Nikkaji J5.440B
NMRShiftDB 10016259
PDBe 4FT
PubChem 9207
PubChem: Thomson Pharma 14818196
SureChEMBL SCHEMBL8266
ZINC ZINC000000404458

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