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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL209352
CHEMBL209352
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30ClN9O5

Additional synonyms for CHEMBL209352 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n2cnc3c(NCc4cc(Cl)ccc4O ...
Download SMILES
Standard InChI InChI=1S/C24H30ClN9O5/c1-27-23(37)20-17(26)19(36)24(39-20)34 ...
Download InChI
Standard InChI Key VWPGXXNJBZSNKH-QLBZUPSYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL209352

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
560 559.2058 -0.99 8 181.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 5 2 14 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.91 8.34 -.79 -1.93 3 39 0.23

Structural Alerts

There are no structural alerts for CHEMBL209352

Compound Cross References

ChemSpider ChemSpider:VWPGXXNJBZSNKH-QLBZUPSYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL209352



BindingDB 50182324
IBM Patent System A355821159B03B9A677FA1D65D46E72D
PubChem 11962166
PubChem: Thomson Pharma 17420596
SureChEMBL SCHEMBL6216355
ZINC ZINC000034800765

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