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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2315237
CHEMBL2315237
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C45H52F3N9O8S

Additional synonyms for CHEMBL2315237 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)NCc ...
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Standard InChI InChI=1S/C43H51N9O6S.C2HF3O2/c44-41(45)35-15-11-33(12-16-35) ...
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Standard InChI Key PAIBNCBSDJSBKP-FYGBZDAYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2315237

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
822 821.3683 1.62 8 218.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 2 15 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.53 11.6 .54 -1.51 4 59 0.1

Structural Alerts

There are 7 structural alerts for CHEMBL2315237. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PAIBNCBSDJSBKP-FYGBZDAYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2315237



PubChem 71716766

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