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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL366977
CHEMBL366977
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H16Cl2N4O

Additional synonyms for CHEMBL366977 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3c[nH]cn3)cc2)c1
Standard InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9 ...
Download InChI
Standard InChI Key CXNCQFJNXQAFND-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL366977

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
375.3 374.0701 3.73 5 69.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.02 7.16 3.62 3.3 3 25 0.64

Structural Alerts

There are no structural alerts for CHEMBL366977

Compound Cross References

ChemSpider ChemSpider:CXNCQFJNXQAFND-UHFFFAOYSA-N
Wikipedia SCH-79687

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL366977



BindingDB 86188
EPA CompTox Dashboard DTXSID20430941
IBM Patent System 47F5B624E30FEEEE57DC7093310B9096
Nikkaji J1.710.321K
PubChem 9801743
PubChem: Thomson Pharma 14779818
SureChEMBL SCHEMBL7860131

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