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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298580
CHEMBL298580
Compound Name
ChEMBL Synonyms RTI-177
Max Phase 0
Trade Names
Molecular Formula C23H23ClN2O

Additional synonyms for CHEMBL298580 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@@H]2CCC1C([C@H](C2)c3ccc(Cl)cc3)c4onc(c4)c5ccccc5
Standard InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9 ...
Download InChI
Standard InChI Key ZGCYMNJHHKQEGA-SNIUIWFXSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL298580

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
378.9 378.1499 5.6 3 29.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.05 6.08 3.56 3 27 0.59

Structural Alerts

There are no structural alerts for CHEMBL298580

Compound Cross References

ChemSpider ChemSpider:ZGCYMNJHHKQEGA-SNIUIWFXSA-N
Wikipedia RTI-177

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298580



BindingDB 50127383
IBM Patent System 551271302CC34D6212B2A441934F9596
PubChem 44295770
SureChEMBL SCHEMBL14173955

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