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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1720676
CHEMBL1720676
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H18ClN3O4

Additional synonyms for CHEMBL1720676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(c1)C2=NN(CC(=O)NCC3COCCO3)C(=O)C=C2
Standard InChI InChI=1S/C17H18ClN3O4/c18-13-3-1-2-12(8-13)15-4-5-17(23)21(2 ...
Download InChI
Standard InChI Key ONPJOFZCHWLNCB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1720676

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
363.8 363.0986 1.1 5 82.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.11 2.11 2 25 0.86

Structural Alerts

There are 2 structural alerts for CHEMBL1720676. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ONPJOFZCHWLNCB-UHFFFAOYSA-N
PubChem SID: 56320377

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1720676



eMolecules 24670787
Mcule MCULE-8833467069
PubChem 24981338

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