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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3109297
CHEMBL3109297
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16

Additional synonyms for CHEMBL3109297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CC[C@H]2C[C@@H]1C2(C)C
Standard InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H ...
Download InChI
Standard InChI Key GRWFGVWFFZKLTI-IUCAKERBSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3109297

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
136.2 136.1252 3 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.32 4.32 0 10 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL3109297. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GRWFGVWFFZKLTI-IUCAKERBSA-N
PubChem SID: 144208958 SID: 144213896

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3109297



ChEBI 28660
ChemicalBook CB5209086
eMolecules 29916969
EPA CompTox Dashboard DTXSID2029290
FDA SRS TZR3GM95PR
IBM Patent System C3F9D6C471C0A746C629A30192C88C23
KEGG Ligand C06308
Mcule MCULE-3867013572 MCULE-4741815186
Metabolights MTBLC28660
MolPort MolPort-002-507-223
Nikkaji J95.400D
PubChem 440968
PubChem: Thomson Pharma 15146676
Rhea 28660
SureChEMBL SCHEMBL3341532
ZINC ZINC000000967580

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