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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293414
CHEMBL293414
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28N4O2

Additional synonyms for CHEMBL293414 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(N(c1ccccc1)c2ccccc2)N3CCN(CC3)C(=O)N(c4ccccc4)c5ccccc5
Standard InChI InChI=1S/C30H28N4O2/c35-29(33(25-13-5-1-6-14-25)26-15-7-2-8- ...
Download InChI
Standard InChI Key NGYTWXMTJVOFHC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293414

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
476.6 476.2212 6.52 4 47.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .13 5.21 5.21 4 36 0.34

Structural Alerts

There are no structural alerts for CHEMBL293414

Compound Cross References

ChemSpider ChemSpider:NGYTWXMTJVOFHC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293414



BindingDB 50280906
eMolecules 2412791
IBM Patent System 84639C90E62C07DB4505F5EA69EE3F5A
Mcule MCULE-7047046319
MolPort MolPort-002-218-394
PubChem 2911265
SureChEMBL SCHEMBL7467929
ZINC ZINC000009061791

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