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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1970315
CHEMBL1970315
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H19N3O3

Additional synonyms for CHEMBL1970315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)CN(C)C(=O)CCC(=O)N(C)C
Standard InChI InChI=1S/C10H19N3O3/c1-11-8(14)7-13(4)10(16)6-5-9(15)12(2)3/ ...
Download InChI
Standard InChI Key OESABNWIXLAAPF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1970315

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
229.3 229.1426 -0.94 5 69.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.67 -1.67 0 16 0.66

Structural Alerts

There are 1 structural alerts for CHEMBL1970315. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OESABNWIXLAAPF-UHFFFAOYSA-N
PubChem SID: 523135

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1970315



PubChem 391824
ZINC ZINC000001652758

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