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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1682424
CHEMBL1682424
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H29N3O2

Additional synonyms for CHEMBL1682424 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCO\N=C\c1c(cc(C)c2NC(C)(C)[C@H](O)[C@@H](C)c12)c3cccc4cc[nH ...
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Standard InChI InChI=1S/C24H29N3O2/c1-6-29-26-13-19-18(17-9-7-8-16-10-11-25 ...
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Standard InChI Key RVNWJSHHOWQTNT-SYWQUHTRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1682424

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
391.5 391.226 5.18 4 69.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 1 5 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.08 5.4 5.4 3 29 0.42

Structural Alerts

There are 5 structural alerts for CHEMBL1682424. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RVNWJSHHOWQTNT-SYWQUHTRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1682424



BindingDB 50338317
PubChem 53326229
ZINC ZINC000066077743

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