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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1784957
CHEMBL1784957
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H27ClN2O2

Additional synonyms for CHEMBL1784957 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.C[C@@H](Cc1ccccc1)NC(=O)Oc2cccc(c2)[C@H](C)N(C)C
Standard InChI InChI=1S/C20H26N2O2.ClH/c1-15(13-17-9-6-5-7-10-17)21-20(23)2 ...
Download InChI
Standard InChI Key NYCWANXMIHRYBR-MOGJOVFKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1784957

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
326.4 326.1994 4.03 6 41.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.81 8.59 3.67 2.5 2 24 0.87

Structural Alerts

There are 2 structural alerts for CHEMBL1784957. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NYCWANXMIHRYBR-MOGJOVFKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1784957



PubChem 44473133
PubChem: Thomson Pharma 85753523

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