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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1554012
CHEMBL1554012
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H31F3N4O6

Additional synonyms for CHEMBL1554012 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC\N=C\1/N(C)C[C@@H]2[C@H]3[C@H](C(=O)N(Cc4ccccc4)C3=O)[C@@ ...
Download SMILES
Standard InChI InChI=1S/C23H30N4O4.C2HF3O2/c1-5-12-24-22-25(3)14-16-17-18(2 ...
Download InChI
Standard InChI Key OFXBSWZJBIBMKU-QCFUWAKVSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1554012

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
426.5 426.2267 1.51 6 82.52 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.78 -.54 -2.54 1 31 0.51

Structural Alerts

There are 4 structural alerts for CHEMBL1554012. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OFXBSWZJBIBMKU-QCFUWAKVSA-N
PubChem SID: 89856126

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1554012




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