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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1707005
CHEMBL1707005
Compound Name
ChEMBL Synonyms SID56320804 | SID56463594
Max Phase 0
Trade Names
Molecular Formula C20H25Cl2N3O2

Additional synonyms for CHEMBL1707005 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Standard InChI InChI=1S/C20H22ClN3O.ClH.H2O/c1-3-24(4-2)13-14-11-16(6-8-20( ...
Download InChI
Standard InChI Key AOFIMJMWPZOPAJ-UHFFFAOYSA-N

Alternate Forms of Compound in Malaria Data


CHEMBL1707005

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
355.9 355.1451 4.76 0 6 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
9.43 5.62 3.13 .95 3 25 1 0.63

Compound Cross References

ChemSpider ChemSpider:AOFIMJMWPZOPAJ-UHFFFAOYSA-N
PubChem SID: 56320804 SID: 56463594

UniChem Cross References

eMolecules 534024
PubChem 16218886

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