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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL189911
CHEMBL189911
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H23N5O

Additional synonyms for CHEMBL189911 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC1CN(Cc2c[nH]c3C(N)N=CNc23)CC1O
Standard InChI InChI=1S/C14H23N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(1 ...
Download InChI
Standard InChI Key XYBMWPVGMYNSHV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL189911

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
277.4 277.1903 1.02 4 89.67 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.92 2.34 -1.16 1 20 0.66

Structural Alerts

There are no structural alerts for CHEMBL189911

Compound Cross References

ChemSpider ChemSpider:XYBMWPVGMYNSHV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL189911



BindingDB 50170084
PubChem 44398647

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