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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420827
CHEMBL2420827
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11Cl2N5O

Additional synonyms for CHEMBL2420827 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(Cl)c1C(=O)Nc2ccnc(Nc3ccncn3)c2
Standard InChI InChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4 ...
Download InChI
Standard InChI Key OEJGMGIHVHSGAE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420827

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
360.2 359.0341 4.17 4 79.8 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.49 4.13 3.62 3.62 3 24 0.73

Structural Alerts

There are no structural alerts for CHEMBL2420827

Compound Cross References

ChemSpider ChemSpider:OEJGMGIHVHSGAE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420827



BindingDB 50439017
IBM Patent System 9E95E0964FA6181A79029170AE51A9CB
PubChem 59618505
SureChEMBL SCHEMBL3515800
ZINC ZINC000096282837

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