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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL216276
CHEMBL216276
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H22Cl2N4O

Additional synonyms for CHEMBL216276 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2c(Cc3c(nn(c23)c4ccc(Cl)cc4Cl)C(=O)NN5CCCCC5)c1
Standard InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)2 ...
Download InChI
Standard InChI Key FNOMTMVRTBHRET-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL216276

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
441.4 440.1171 5.19 3 50.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.33 3.23 5.08 5.08 3 30 0.48

Structural Alerts

There are 2 structural alerts for CHEMBL216276. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FNOMTMVRTBHRET-UHFFFAOYSA-N
PubChem SID: 50112987

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL216276



BindingDB 50200169
ChEBI 93145
eMolecules 29703080
IBM Patent System 56DEAA91578F79F0BC3DF064E42E18E9
LINCS LSM-3458
MolPort MolPort-019-939-256
PubChem 10252734
PubChem: Thomson Pharma 15256071
SureChEMBL SCHEMBL3021073
ZINC ZINC000013476371

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