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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1784958
CHEMBL1784958
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H29ClN2O2

Additional synonyms for CHEMBL1784958 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.C[C@H](Cc1ccccc1)N(C)C(=O)Oc2cccc(c2)[C@H](C)N(C)C
Standard InChI InChI=1S/C21H28N2O2.ClH/c1-16(14-18-10-7-6-8-11-18)23(5)21(2 ...
Download InChI
Standard InChI Key AWAZKCCRSSRICT-PPPUBMIESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1784958

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
340.5 340.2151 4.37 6 32.78 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.62 3.99 2.78 2 25 0.78

Structural Alerts

There are 2 structural alerts for CHEMBL1784958. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AWAZKCCRSSRICT-PPPUBMIESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1784958



PubChem 54584410

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