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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392930
CHEMBL2392930
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H30Cl2N6

Additional synonyms for CHEMBL2392930 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCCCc2ccc3ccccc3n2)c4ccccc4)c1Cl)c5ccc(Cl) ...
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Standard InChI InChI=1S/C31H30Cl2N6/c1-21-29(33)31(39-30(37-21)27-17-15-24( ...
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Standard InChI Key QSHFFYGHXXOIKZ-NDEPHWFRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392930

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
557.5 556.1909 7.47 11 75.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 6 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.63 7.12 6.03 5 39 0.16

Structural Alerts

There are 2 structural alerts for CHEMBL2392930. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QSHFFYGHXXOIKZ-NDEPHWFRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392930



BindingDB 50435186
PubChem 71602694
PubChem: Thomson Pharma 163683861
ZINC ZINC000096271205

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