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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104431
CHEMBL2104431
Compound Name NANOFIN
ChEMBL Synonyms NANIOPINE | NANOFIN
Max Phase 0
Trade Names
Molecular Formula C7H15N

Additional synonyms for CHEMBL2104431 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CCCC(C)N1
Standard InChI InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3
Standard InChI Key SDGKUVSVPIIUCF-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104431

Molecule Features

CHEMBL2104431 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov NANOFIN
The Cochrane Collaboration NANOFIN

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
113.2 113.1204 1.54 0 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.82 1.68 -1.25 0 8 0.5

Structural Alerts

There are no structural alerts for CHEMBL2104431

Compound Cross References

ChemSpider ChemSpider:SDGKUVSVPIIUCF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104431



ACToR 149300-91-4 766-17-6 504-03-0
ChemicalBook CB2260262
eMolecules 506118
IBM Patent System C5AADE3D95E5D958CB603A7B3CC93B41
Mcule MCULE-1701252671
MolPort MolPort-001-783-590
Nikkaji J22.051E
PubChem 68843
PubChem: Thomson Pharma 15321209
SureChEMBL SCHEMBL25816

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