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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15383
CHEMBL15383
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17N3O

Additional synonyms for CHEMBL15383 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1
Standard InChI InChI=1S/C14H17N3O/c15-14(18)10-1-2-13-11(7-10)12(8-17-13)9- ...
Download InChI
Standard InChI Key DRVXDHFVKADYKC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15383

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
243.3 243.1372 1.73 2 70.91 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.24 .33 -2.35 2 18 0.75

Structural Alerts

There are no structural alerts for CHEMBL15383

Compound Cross References

ChemSpider ChemSpider:DRVXDHFVKADYKC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15383



eMolecules 32447201
IBM Patent System 9F972F90D658F2E9E04A50F99660C89D
MolPort MolPort-016-637-873
Nikkaji J1.292.218C
PubChem 21469418
SureChEMBL SCHEMBL4781939
ZINC ZINC000013806200

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