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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1717174
CHEMBL1717174
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H43N3O10

Additional synonyms for CHEMBL1717174 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cc2CN(CCC(=NOC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C ...
Download SMILES
Standard InChI InChI=1S/C30H43N3O10/c1-8-22-14-23-15-33(13-11-25(23)31-24(2 ...
Download InChI
Standard InChI Key ARUVJCBJOZWBGJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1717174

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
605.7 605.2948 2.43 12 152.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 0 2 13 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.17 3.45 3.27 1 43 0.15

Structural Alerts

There are 11 structural alerts for CHEMBL1717174. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ARUVJCBJOZWBGJ-UHFFFAOYSA-N
PubChem SID: 104232020

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1717174



PubChem 73324469

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