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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392923
CHEMBL2392923
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33Cl2N5

Additional synonyms for CHEMBL2392923 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCCCCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C30H33Cl2N5/c1-22-28(32)30(37-29(36-22)26-18-17-25( ...
Download InChI
Standard InChI Key UBJOTBARWOGPMC-MHZLTWQESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392923

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
534.5 533.2113 7.7 13 62.73 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.7 8.75 7.57 4 37 0.17

Structural Alerts

There are 5 structural alerts for CHEMBL2392923. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UBJOTBARWOGPMC-MHZLTWQESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392923



BindingDB 50435193
PubChem 71602592
PubChem: Thomson Pharma 163683727
ZINC ZINC000096271212

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