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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2152904
CHEMBL2152904
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H22FN5O

Additional synonyms for CHEMBL2152904 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C=C(C=C(C)C1=O)[C@@]2(N=C(N)c3c(F)cccc23)c4cccc(c4)c5cnc ...
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Standard InChI InChI=1S/C28H22FN5O/c1-3-34-16-22(10-17(2)27(34)35)28(23-8-5 ...
Download InChI
Standard InChI Key VAUWUKVZPXCDOH-NDEPHWFRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2152904

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
463.5 463.1808 3.16 4 95.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.7 2.78 2.78 3 35 0.64

Structural Alerts

There are 2 structural alerts for CHEMBL2152904. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VAUWUKVZPXCDOH-NDEPHWFRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2152904



BindingDB 50393089
PubChem 71449475
ZINC ZINC000095574043

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