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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145756
CHEMBL145756
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H35F2N5O5

Additional synonyms for CHEMBL145756 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=C(C)NC(=O)N(C1c2ccc(F)c(F)c2)C(=O)NCCCN3CCN(CC3)c4 ...
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Standard InChI InChI=1S/C29H35F2N5O5/c1-18-16-21(40-3)7-9-24(18)35-14-12-34 ...
Download InChI
Standard InChI Key VYEWPTHCXXZXSS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL145756

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
571.6 571.2606 3.76 9 103.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.61 7.66 4.15 3.69 2 41 0.35

Structural Alerts

There are 4 structural alerts for CHEMBL145756. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VYEWPTHCXXZXSS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145756



BindingDB 50082849
Nikkaji J1.206.308C
PubChem 10816903
PubChem: Thomson Pharma 15857014

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