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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL214617
CHEMBL214617
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H28ClN7O2S

Additional synonyms for CHEMBL214617 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(NCCCN4CCOCC4)nc(C)n3)s2
Standard InChI InChI=1S/C23H28ClN7O2S/c1-15-5-3-6-17(24)21(15)30-22(32)18-1 ...
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Standard InChI Key CRHCQKSSAJEGRA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL214617

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
502 501.1714 4.33 9 104.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.94 7.24 2.35 2.11 3 34 0.37

Structural Alerts

There are 2 structural alerts for CHEMBL214617. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CRHCQKSSAJEGRA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL214617



BindingDB 13276
IBM Patent System E55293B08C1A3AC8B527C8EFAE35C8D7
PubChem 11466196
PubChem: Thomson Pharma 16566165
SureChEMBL SCHEMBL774731
ZINC ZINC000014952217

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