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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL441225
CHEMBL441225
Compound Name CP-99994
ChEMBL Synonyms CP-99994
Max Phase 0
Trade Names
Molecular Formula C19H24N2O

Additional synonyms for CHEMBL441225 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3
Standard InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13 ...
Download InChI
Standard InChI Key DTQNEFOKTXXQKV-HKUYNNGSSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL441225

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
296.4 296.1889 3.28 5 33.29 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.16 3.25 1.1 2 22 0.89

Structural Alerts

There are no structural alerts for CHEMBL441225

Compound Cross References

ChemSpider ChemSpider:DTQNEFOKTXXQKV-HKUYNNGSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL441225



BindingDB 50000041
FDA SRS 5KM4QA7RZC
Guide to Pharmacology 2102
IBM Patent System 64B640EE7880E332F3CC8A13D430396E
Nikkaji J527.719A
PDBe GBK
PubChem 5311057
PubChem: Thomson Pharma 14775946 14898203
SureChEMBL SCHEMBL1282327
ZINC ZINC000022441784

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