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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL94234
CHEMBL94234
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H19N5O4

Additional synonyms for CHEMBL94234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCC)c2[nH]c(CN3C(=O)C=CC3=O)nc2C1=O
Standard InChI InChI=1S/C16H19N5O4/c1-3-7-19-14-13(15(24)20(8-4-2)16(19)25) ...
Download InChI
Standard InChI Key ZPHVCRBMRXQAFM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL94234

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
345.4 345.1437 0.13 6 110.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.63 .4 1.02 .82 2 25 0.75

Structural Alerts

There are 5 structural alerts for CHEMBL94234. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZPHVCRBMRXQAFM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL94234



BindingDB 50039680
Nikkaji J602.071B
PubChem 10405277
PubChem: Thomson Pharma 15422527
ZINC ZINC000012405642

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