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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1613220
CHEMBL1613220
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H30Cl2N2

Additional synonyms for CHEMBL1613220 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.C(CNC(c1ccccc1)c2ccccc2)NC(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-2 ...
Download InChI
Standard InChI Key YRQCDCNQANSUPB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1613220

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
392.5 392.2252 5.78 9 24.06 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.38 4.09 3.07 4 30 0.35

Structural Alerts

There are 1 structural alerts for CHEMBL1613220. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YRQCDCNQANSUPB-UHFFFAOYSA-N
PubChem SID: 26753294

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1613220



eMolecules 11486885
MolPort MolPort-003-983-511
PubChem 11698390
PubChem: Drugs of the Future 99431605
PubChem: Thomson Pharma 16802902
SureChEMBL SCHEMBL3012657

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