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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1627911
CHEMBL1627911
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H54N4O4

Additional synonyms for CHEMBL1627911 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c2C=CN(Cc2c(C)c3c4ccccc4[nH]c13)C(=O)NCCCCCCNC(=O)C[C@]5( ...
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Standard InChI InChI=1S/C44H54N4O4/c1-27-36-26-48(23-18-31(36)28(2)41-40(27 ...
Download InChI
Standard InChI Key FAHMRLJXLBSGRO-UTKKKGMLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1627911

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
702.9 702.4145 7.69 9 117.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 5 2 8 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.26 .72 8.04 8.04 4 52 0.12

Structural Alerts

There are 5 structural alerts for CHEMBL1627911. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FAHMRLJXLBSGRO-UTKKKGMLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1627911



BindingDB 50369152
Nikkaji J763.756J
PubChem 9831582
PubChem: Thomson Pharma 14790713 15883892
ZINC ZINC000072120300

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