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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1357648
CHEMBL1357648
Compound Name
ChEMBL Synonyms SID144204316 | SID11112979
Max Phase 0
Trade Names
Molecular Formula C20H28Cl3N3O3

Additional synonyms for CHEMBL1357648 found using NCI Chemical Identifier Resolver

Compound Representations

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

Alternate Forms of Compound in Malaria Data


CHEMBL1357648

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:YVNAYSHNIILOJS-UHFFFAOYSA-N
PubChem SID: 11112979 SID: 144204316

UniChem Cross References

ChEBI 50652
eMolecules 6720220
FDA SRS K6PW2S574L
SureChEMBL SCHEMBL284774
PubChem 64646 517313 24906321
ACToR 6398-98-7
MolPort MolPort-019-999-825
EPA CompTox Dashboard DTXSID3045568

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