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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL165670
CHEMBL165670
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H25N3O2

Additional synonyms for CHEMBL165670 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1ccc(cc1)C(=O)N2CCCc3c[nH]c4cccc2c34)c5ccccc5c6ccccc6
Standard InChI InChI=1S/C31H25N3O2/c35-30(26-12-5-4-11-25(26)21-8-2-1-3-9-2 ...
Download InChI
Standard InChI Key OIOWQZHYLNNEAS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL165670

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
471.6 471.1947 6.68 4 65.2 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.86 - 5.46 5.46 5 36 0.31

Structural Alerts

There are no structural alerts for CHEMBL165670

Compound Cross References

ChemSpider ChemSpider:OIOWQZHYLNNEAS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL165670



BindingDB 50125101
IBM Patent System 367BB4C6533AA22E06C26327BB8660D5
Nikkaji J1.861.541J
PubChem 9826033
PubChem: Thomson Pharma 14785198
SureChEMBL SCHEMBL6628993
ZINC ZINC000013487942

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