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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7718
CHEMBL7718
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H27N5O2

Additional synonyms for CHEMBL7718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)\N=C(/NC#N)\Nc1cccc(c1)\C(=C\CCCC(=O)O)\c2cccnc2
Standard InChI InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17 ...
Download InChI
Standard InChI Key XUTLOCQNGLJNSA-JAIQZWGSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7718

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
405.5 405.2165 4.41 7 110.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.66 5.16 3.14 .47 2 30 0.21

Structural Alerts

There are 8 structural alerts for CHEMBL7718. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XUTLOCQNGLJNSA-JAIQZWGSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7718



Nikkaji J1.100.639F
PubChem 10669025
PubChem: Thomson Pharma 15701755
SureChEMBL SCHEMBL13030802
ZINC ZINC000011726171

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