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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1489378
CHEMBL1489378
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13F3N4

Additional synonyms for CHEMBL1489378 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c2c(n1)nn3c(cc(nc23)C(F)(F)F)C4CC4
Standard InChI InChI=1S/C15H13F3N4/c1-7-5-8(2)19-13-12(7)14-20-11(15(16,17) ...
Download InChI
Standard InChI Key DQMKKWKIILIDNM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1489378

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
306.3 306.1092 3.79 1 43.08 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.13 2.76 2.76 3 22 0.69

Structural Alerts

There are no structural alerts for CHEMBL1489378

Compound Cross References

ChemSpider ChemSpider:DQMKKWKIILIDNM-UHFFFAOYSA-N
PubChem SID: 4252313

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1489378



eMolecules 30560877
PubChem 3245884

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