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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1765781
CHEMBL1765781
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31N7O2

Additional synonyms for CHEMBL1765781 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1cncc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCC[C@H]4CN5CC ...
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Standard InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(3 ...
Download InChI
Standard InChI Key CMOPUHDFFUAOMA-NRFANRHFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1765781

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
473.6 473.2539 3.19 7 106.25 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.58 9.95 .96 -1.48 3 35 0.48

Structural Alerts

There are 1 structural alerts for CHEMBL1765781. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CMOPUHDFFUAOMA-NRFANRHFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1765781



BindingDB 50341519
IBM Patent System 0AD355BE4BD1B41E1983AA50B5CC4031
PubChem 52936621
PubChem: Thomson Pharma 123076527
SureChEMBL SCHEMBL10063060
ZINC ZINC000071317259

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