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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3185669
CHEMBL3185669
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H24

Additional synonyms for CHEMBL3185669 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CC[C@H]2C(C)(C)C3C[C@@]12CC=C3C
Standard InChI InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15) ...
Download InChI
Standard InChI Key IRAQOCYXUMOFCW-YKURLNKLSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3185669

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
204.4 204.1878 4.42 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
- - 6.31 6.31 0 15 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL3185669. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IRAQOCYXUMOFCW-YKURLNKLSA-N
PubChem SID: 144212622

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3185669



eMolecules 36788088
EPA CompTox Dashboard DTXSID0047032
KEGG Ligand C09630
PubChem 442348
SureChEMBL SCHEMBL3505725

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