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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL357490
CHEMBL357490
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H14N2O

Additional synonyms for CHEMBL357490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NCc2c1c3c(Cc4ccccc34)c5[nH]c6ccccc6c25
Standard InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)18-13-7-3-4-8-16(13 ...
Download InChI
Standard InChI Key NBGYLHIDCLVBHE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL357490

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
310.4 310.1106 4.14 0 44.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.75 3.75 4 24 0.44

Structural Alerts

There are no structural alerts for CHEMBL357490

Compound Cross References

ChemSpider ChemSpider:NBGYLHIDCLVBHE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL357490



BindingDB 14177
IBM Patent System 4E2358E1AD23A2AA55E8FEFD382F9206 8B4A4BFA2559D7E2013C7F032DB5CCE6
Nikkaji J1.667.226B
PubChem 9796713
PubChem: Thomson Pharma 14752161
SureChEMBL SCHEMBL3072275
ZINC ZINC000000021159

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