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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL303070
CHEMBL303070
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12N4O3

Additional synonyms for CHEMBL303070 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=O)C2(N1)N(C(=O)Nc3ccccc23)c4ccccc4
Standard InChI InChI=1S/C16H12N4O3/c21-13-16(19-14(22)18-13)11-8-4-5-9-12(1 ...
Download InChI
Standard InChI Key LWTDATMDSQXMPP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL303070

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
308.3 308.0909 1.53 1 90.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.94 - 2.1 2.09 2 23 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL303070. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LWTDATMDSQXMPP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL303070



BindingDB 50006388
Nikkaji J406.702I
PubChem 15035552

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