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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL247192
CHEMBL247192
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H36N6O3

Additional synonyms for CHEMBL247192 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(C(=O)N)c3CCN(C4CCN(CC4)c5ccccc5CN6CCCC6)C(= ...
Download SMILES
Standard InChI InChI=1S/C30H36N6O3/c1-39-24-10-8-23(9-11-24)36-28-25(27(32- ...
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Standard InChI Key DPXWCKIVLONPSP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL247192

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
528.7 528.2849 3.24 7 96.93 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.64 2.75 .49 3 39 0.51

Structural Alerts

There are no structural alerts for CHEMBL247192

Compound Cross References

ChemSpider ChemSpider:DPXWCKIVLONPSP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL247192



BindingDB 19038
Brenda 159223
PubChem 23648152
ZINC ZINC000014969577

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