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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203429
CHEMBL2203429
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H23N5O3

Additional synonyms for CHEMBL2203429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccnc(c1)C(=O)Nc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2
Standard InChI InChI=1S/C21H23N5O3/c1-13-9-10-22-16(11-13)19(27)23-14-5-7-1 ...
Download InChI
Standard InChI Key PEJCGJUJBCLDFV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203429

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
393.5 393.1801 4.57 4 109.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.5 3.21 2.61 2.61 3 29 0.6

Structural Alerts

There are no structural alerts for CHEMBL2203429

Compound Cross References

ChemSpider ChemSpider:PEJCGJUJBCLDFV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203429



BindingDB 50400613
PubChem 71461137
PubChem: Thomson Pharma 163512883
ZINC ZINC000095562094

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