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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL577754
CHEMBL577754
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H39N4O8P

Additional synonyms for CHEMBL577754 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc3onc(c3)c4ccccc ...
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Standard InChI InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19 ...
Download InChI
Standard InChI Key ITMFWUAKJPURIP-NINLVYDZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL577754

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
734.8 734.2506 6.56 16 183.85 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 2 12 5 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.74 - 6.18 1.43 6 53 0.07

Structural Alerts

There are 5 structural alerts for CHEMBL577754. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ITMFWUAKJPURIP-NINLVYDZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL577754



BindingDB 50303323
IBM Patent System 7BD31B50F879421B324140B0A5924695
PubChem 44626708
PubChem: Thomson Pharma 87553834
SureChEMBL SCHEMBL3867957
ZINC ZINC000043312718

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