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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420514
CHEMBL2420514
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H19N5O2

Additional synonyms for CHEMBL2420514 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1ccc(cc1)C2=NN(C)C3=NC(=O)N(Cc4ccccc4)C(=O)C3=N2
Standard InChI InChI=1S/C21H19N5O2/c1-3-14-9-11-16(12-10-14)18-22-17-19(25( ...
Download InChI
Standard InChI Key XMHOQMWWBQSINS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420514

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
373.4 373.1539 2.11 4 82.67 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.73 3.73 2 28 0.55

Structural Alerts

There are no structural alerts for CHEMBL2420514

Compound Cross References

ChemSpider ChemSpider:XMHOQMWWBQSINS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420514



BindingDB 50438899
PubChem 71818004
ZINC ZINC000096282733

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