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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL383977
CHEMBL383977
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H10FN5O2

Additional synonyms for CHEMBL383977 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(O)c2c(ncn2\C=C/3\[C@@H](F)[C@H]3CO)n1
Standard InChI InChI=1S/C10H10FN5O2/c11-6-4(5(6)2-17)1-16-3-13-8-7(16)9(18) ...
Download InChI
Standard InChI Key QPHJZEBBTPCAJK-RJDSDSGYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL383977

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
251.2 251.0819 -0.08 2 110.08 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.97 -.61 -2.84 2 18 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL383977. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QPHJZEBBTPCAJK-RJDSDSGYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL383977



PubChem 44417236
ZINC ZINC000040767026

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