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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2035983
CHEMBL2035983
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H30F2N6O3

Additional synonyms for CHEMBL2035983 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc3cnc4C[C@]5(Cc4c3)C(=O)Nc6n ...
Download SMILES
Standard InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36 ...
Download InChI
Standard InChI Key IDKKNSOZWQOAAS-KYJUHHDHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2035983

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
572.6 572.2347 3.34 4 116.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.14 7.14 -.48 -.63 3 42 0.44

Structural Alerts

There are no structural alerts for CHEMBL2035983

Compound Cross References

ChemSpider ChemSpider:IDKKNSOZWQOAAS-KYJUHHDHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2035983



BindingDB 50385309
Nikkaji J3.353.244J
PubChem 56944164
PubChem: Thomson Pharma 135646465
ZINC ZINC000084704770

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