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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1789975
CHEMBL1789975
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H35F2N5O5

Additional synonyms for CHEMBL1789975 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N3CCC(CC3)(C#N)c4c ...
Download SMILES
Standard InChI InChI=1S/C32H35F2N5O5/c1-43-18-26-27(29(40)44-2)28(20-8-11-2 ...
Download InChI
Standard InChI Key UMVYPFAJDLQOIO-IWHLBADBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1789975

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
607.7 607.2606 3.5 8 124 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
10.69 7.36 5.17 4.91 2 44 0.44

Structural Alerts

There are 1 structural alerts for CHEMBL1789975. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UMVYPFAJDLQOIO-IWHLBADBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1789975



BindingDB 50366647
Nikkaji J1.383.639F
PubChem 56668277
ZINC ZINC000003940202

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