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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1631076
CHEMBL1631076
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H44N4O3

Additional synonyms for CHEMBL1631076 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CCCN(C1)C(=O)CN2CN(c3ccccc3)C4(CCN(CC4)C(=O)c5ccc(cc5)C6C ...
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Standard InChI InChI=1S/C34H44N4O3/c1-26-9-8-20-36(23-26)31(39)24-37-25-38( ...
Download InChI
Standard InChI Key VONOIIGXABMUNL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1631076

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
556.8 556.3413 5.27 5 64.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 2 7 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .66 5.83 5.83 2 41 0.5

Structural Alerts

There are no structural alerts for CHEMBL1631076

Compound Cross References

ChemSpider ChemSpider:VONOIIGXABMUNL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1631076



BindingDB 50332448
PubChem 53325209

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