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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

Structural Alerts

There are no structural alerts for CHEMBL298580

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298580



BindinDB 50127383
IBM Patent System 551271302CC34D6212B2A441934F9596
IBM Patents US7291737 US7189737 US20050197360 US20080153870 US20030203934 US6531483 US20020188003 US6479509 US7011813
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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