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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9753
CHEMBL9753
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H29N3O

Additional synonyms for CHEMBL9753 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)CC(N(C)CC)C(=O)Nc1c(C)cccc1C
Standard InChI InChI=1S/C17H29N3O/c1-7-19(5)12-15(20(6)8-2)17(21)18-16-13(3 ...
Download InChI
Standard InChI Key JHHQNFSBAJYOSB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL9753

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
291.4 291.2311 2.51 7 35.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.93 7.69 2.61 2.22 1 21 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL9753. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JHHQNFSBAJYOSB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9753



ACToR 51246-59-4
PubChem 3039786

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