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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1277071
CHEMBL1277071
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H27FN4O3

Additional synonyms for CHEMBL1277071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(\C=C\2/C(=O)Nc3ccc(F)cc23)[nH]c4CCCN(CCN5CCOCC5)C(=O)c1 ...
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Standard InChI InChI=1S/C24H27FN4O3/c1-15-21(14-18-17-13-16(25)4-5-19(17)27 ...
Download InChI
Standard InChI Key GRDPLDYSIKQSRC-JXAWBTAJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1277071

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
438.5 438.2067 2.68 4 77.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.72 6.65 .09 .05 2 32 0.72

Structural Alerts

There are 3 structural alerts for CHEMBL1277071. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GRDPLDYSIKQSRC-JXAWBTAJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1277071



BindingDB 50331031
PubChem 25114266
PubChem: Thomson Pharma 56438324
SureChEMBL SCHEMBL3133130
ZINC ZINC000064454146

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