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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL90614
CHEMBL90614
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H34F3N5O2

Additional synonyms for CHEMBL90614 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc3ccc(cc3)C(F)(F)F)C(=O)NCC ...
Download SMILES
Standard InChI InChI=1S/C32H34F3N5O2/c1-30(19-22-20-37-26-10-4-3-9-25(22)26 ...
Download InChI
Standard InChI Key ILJBXVQOPJTFJY-PMERELPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL90614

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
577.7 577.2665 6.72 8 98.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 2 7 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.8 5.65 6.71 6.7 4 42 0.19

Structural Alerts

There are 2 structural alerts for CHEMBL90614. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ILJBXVQOPJTFJY-PMERELPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL90614



BindingDB 50071753
IBM Patent System 3B1FD839C6DFAD0D88427D13E88B677A
PubChem 44321037
SureChEMBL SCHEMBL6251051
ZINC ZINC000026578008

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