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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1684544
CHEMBL1684544
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25N5O

Additional synonyms for CHEMBL1684544 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N1CCC(CC1)Nc2ccc3[nH]nc(c4cc5ccc(C)cc5[nH]4)c3c2
Standard InChI InChI=1S/C23H25N5O/c1-14-3-4-16-12-22(25-21(16)11-14)23-19-1 ...
Download InChI
Standard InChI Key IDRFTNZFOBWQKE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1684544

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
387.5 387.2059 4.44 3 76.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.22 3.11 3.11 4 29 0.49

Structural Alerts

There are no structural alerts for CHEMBL1684544

Compound Cross References

ChemSpider ChemSpider:IDRFTNZFOBWQKE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1684544



BindingDB 50338113
ZINC ZINC000066077220

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