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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL245024
CHEMBL245024
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H17F2N3

Additional synonyms for CHEMBL245024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c3cnc(F)c(c3)c4ccc(F)nc4
Standard InChI InChI=1S/C17H17F2N3/c1-22-12-3-4-15(22)13(7-12)11-6-14(17(19 ...
Download InChI
Standard InChI Key BSQVBKQZQANKJQ-UMVBOHGHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL245024

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
301.3 301.1391 3.37 2 29.02 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.14 2.54 -.05 2 22 0.8

Structural Alerts

There are 3 structural alerts for CHEMBL245024. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BSQVBKQZQANKJQ-UMVBOHGHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL245024



PubChem 44427419
ZINC ZINC000100068674

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