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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2103835
CHEMBL2103835
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C39H67N5O7

Additional synonyms for CHEMBL2103835 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C ...
Download SMILES
Standard InChI InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-3 ...
Download InChI
Standard InChI Key DASWEROEPLKSEI-UIJRFTGLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2103835

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
718 717.504 3.53 20 149.54 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 1 12 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 8.65 3.3 2.03 1 51 0.16

Structural Alerts

There are 1 structural alerts for CHEMBL2103835. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DASWEROEPLKSEI-UIJRFTGLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2103835



FDA SRS V7I58RC5EJ
IBM Patent System 17C64C656696BE0B015AB56AFF5F73AB
MolPort MolPort-039-062-217
Nikkaji J1.915.648F
PDBe 4Q5
PubChem 11542188
PubChem: Thomson Pharma 16644199
SureChEMBL SCHEMBL5402144
ZINC ZINC000085537145

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