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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1092000
CHEMBL1092000
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H20ClN5O

Additional synonyms for CHEMBL1092000 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc(Cn2c(ccc2c3ccccc3Cl)c4ccc(Oc5cnccn5)cc4)n1
Standard InChI InChI=1S/C26H20ClN5O/c27-22-6-2-1-5-21(22)24-13-12-23(32(24) ...
Download InChI
Standard InChI Key SKVOYCWFAMLWLN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1092000

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
453.9 453.1356 5.65 6 78.85 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.83 4.48 4.48 5 33 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL1092000. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SKVOYCWFAMLWLN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1092000



BindingDB 50314999
Brenda 162310
IBM Patent System 1FE973E4FD27E3FBDF55AE78A688C1C3
PubChem 11705141
PubChem: Thomson Pharma 16809836
ZINC ZINC000049069211

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