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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392917
CHEMBL2392917
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H31Cl2N5O

Additional synonyms for CHEMBL2392917 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl) ...
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Standard InChI InChI=1S/C30H31Cl2N5O/c1-21-28(32)30(37-29(35-21)25-18-17-24 ...
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Standard InChI Key UTVBIOYKIWRMTJ-SANMLTNESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392917

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
548.5 547.1906 7.23 12 79.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 6 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.38 7.33 7.33 4 38 0.18

Structural Alerts

There are 2 structural alerts for CHEMBL2392917. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UTVBIOYKIWRMTJ-SANMLTNESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392917



BindingDB 50435199
PubChem 71602529
PubChem: Thomson Pharma 163683653
ZINC ZINC000096271218

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