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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2206277
CHEMBL2206277
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H40N6O4

Additional synonyms for CHEMBL2206277 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(C)(C)CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4) ...
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Standard InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33- ...
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Standard InChI Key INOASWZOZPQAQM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2206277

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
548.7 548.3111 6.29 6 121.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 10 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 9.64 4.2 2.01 3 40 0.33

Structural Alerts

There are no structural alerts for CHEMBL2206277

Compound Cross References

ChemSpider ChemSpider:INOASWZOZPQAQM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2206277



BindingDB 50400600
PubChem 54762055
PubChem: Thomson Pharma 163513161
SureChEMBL SCHEMBL1698701
ZINC ZINC000095561428

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