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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420825
CHEMBL2420825
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11Cl2N5O

Additional synonyms for CHEMBL2420825 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(Cl)c1C(=O)Nc2ccnc(Nc3ncccn3)c2
Standard InChI InChI=1S/C16H11Cl2N5O/c17-11-3-1-4-12(18)14(11)15(24)22-10-5 ...
Download InChI
Standard InChI Key RCULCNISCKTARC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420825

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
360.2 359.0341 4.17 4 79.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.5 4.48 3.47 3.47 3 24 0.73

Structural Alerts

There are no structural alerts for CHEMBL2420825

Compound Cross References

ChemSpider ChemSpider:RCULCNISCKTARC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420825



BindingDB 50439022
IBM Patent System 06B179401C3D2D053719EDC656696DD2
PubChem 59618036
SureChEMBL SCHEMBL1706672
ZINC ZINC000096282842

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