Structure of molecule 35775

Molecule card · MolClass #35775

24829569

24829569: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
24829569Mitochondrial Fusion · compound_name
MolClass ID
35775
InChIKey
GIJYIOLGBVKZFU-UHFFFAOYSA-N
Canonical SMILES
CC1(C)(CC(=CC(C1)=[N+]2CCOCC2)N3CCOCC3)
Standard InChI
InChI=1S/C16H27N2O2/c1-16(2)12-14(17-3-7-19-8-4-17)11-15(13-16)18-5-9-20-10-6-18/h11H,3-10,12-13H2,1-2H3/q+1
Stored Murcko scaffold
O1CCN(C2=CC(=[N+]3CCOCC3)CCC2)CC1

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
1
CDK 2.12 · 2026-08-19
Topological polar surface area
24.71 Ų
CDK 2.12 · 2026-08-19
Molecular weight
279.398 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.392
CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 24829569