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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2326033
CHEMBL2326033
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H38N2O

Additional synonyms for CHEMBL2326033 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)[C@@]34C[C@@H]5C[C@@H](C[C@@H ...
Download SMILES
Standard InChI InChI=1S/C29H38N2O/c1-3-30(4-2)27-12-10-23(11-13-27)21-31(28 ...
Download InChI
Standard InChI Key DVDYCLRLKJHNDC-BNWMHBKRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2326033

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
430.6 430.2984 6.07 8 23.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.42 5.93 5.9 2 32 0.51

Structural Alerts

There are 2 structural alerts for CHEMBL2326033. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DVDYCLRLKJHNDC-BNWMHBKRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2326033



BindingDB 50427398
PubChem: Thomson Pharma 163635891

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