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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1243092
CHEMBL1243092
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H24N4O3

Additional synonyms for CHEMBL1243092 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N2CCC[C@H]2C#N)N3CCCCC3
Standard InChI InChI=1S/C17H24N4O3/c18-11-13-5-4-8-21(13)17(24)14-9-12(16(2 ...
Download InChI
Standard InChI Key KKGGFSCOYYBHAU-IHRRRGAJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1243092

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
332.4 332.1848 0.41 3 93.51 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.79 -.79 0 24 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL1243092. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KKGGFSCOYYBHAU-IHRRRGAJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1243092



BindingDB 50326388
PubChem 46938799
PubChem: Thomson Pharma 99447075
ZINC ZINC000064553991

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