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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1719936
CHEMBL1719936
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H38N4O

Additional synonyms for CHEMBL1719936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)CC(C)(C)NC1=Nc2ccccc2NC13C[C@H]4CCC(=O)N5CC[C@@H](C3 ...
Download SMILES
Standard InChI InChI=1S/C26H38N4O/c1-24(2,3)16-25(4,5)29-23-26(28-20-9-7-6- ...
Download InChI
Standard InChI Key LEBQQANQBWUNJK-VDJFCPNZSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1719936

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
422.6 422.3046 5.11 2 56.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.64 5.27 4.15 1 31 0.7

Structural Alerts

There are no structural alerts for CHEMBL1719936

Compound Cross References

ChemSpider ChemSpider:LEBQQANQBWUNJK-VDJFCPNZSA-N
PubChem SID: 124898454 SID: 81066815

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1719936



PubChem 42628564

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