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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL170447
CHEMBL170447
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30Cl2N4O3

Additional synonyms for CHEMBL170447 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.OCCN1CCN=C1c2ccc(cc2)c3oc(cc3)c4ccc(cc4)C5=NCCN5CCO
Standard InChI InChI=1S/C26H28N4O3.2ClH/c31-17-15-29-13-11-27-25(29)21-5-1- ...
Download InChI
Standard InChI Key YYNYXJAFMGFNBL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL170447

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
444.5 444.2161 2.72 8 84.8 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.35 2.78 -.11 3 33 0.56

Structural Alerts

There are no structural alerts for CHEMBL170447

Compound Cross References

ChemSpider ChemSpider:YYNYXJAFMGFNBL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL170447



PubChem 49796857 462431

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