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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392929
CHEMBL2392929
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H27Cl2N5S

Additional synonyms for CHEMBL2392929 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCCCc2cccs2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C26H27Cl2N5S/c1-18-24(28)26(33-25(32-18)22-13-12-20 ...
Download InChI
Standard InChI Key RQIDBYJDMXKKMQ-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392929

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
512.5 511.1364 6.98 11 62.73 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.62 6.79 5.69 4 34 0.21

Structural Alerts

There are 2 structural alerts for CHEMBL2392929. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RQIDBYJDMXKKMQ-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392929



BindingDB 50435187
PubChem 71602650
PubChem: Thomson Pharma 163683799
ZINC ZINC000096271206

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