ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1798004
CHEMBL1798004
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H40ClN5O7

Additional synonyms for CHEMBL1798004 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N2Cc3cc(OCC(=O)NO ...
Download SMILES
Standard InChI InChI=1S/C30H39N5O7.ClH/c1-4-18(2)27(33-28(37)24-6-5-13-31-2 ...
Download InChI
Standard InChI Key IJNJGMYZKBWJDY-MFOYNNLUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1798004

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
581.7 581.2849 1.75 11 158.33 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 1 12 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.13 8.68 4.12 3.27 2 42 0.2

Structural Alerts

There are 6 structural alerts for CHEMBL1798004. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IJNJGMYZKBWJDY-MFOYNNLUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1798004



PubChem 52951360
PubChem: Thomson Pharma 123102882

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