Molecule card · MolClass #45358

24708007

24708007: 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: 24708007Mitochondrial Fusion · compound_name
MolClass ID: 45358
InChIKey: CEYAFNIFYYAGHL-UHFFFAOYSA-N
Canonical SMILES: CC(C)CC1(C=CCN1(C(C)=O))(C(=O)NCCN2CCOCC2)
Standard InChI: InChI=1S/C17H29N3O3/c1-14(2)13-17(5-4-7-20(17)15(3)21)16(22)18-6-8-19-9-11-23-12-10-19/h4-5,14H,6-13H2,1-3H3,(H,18,22)
Stored Murcko scaffold: [N]1CC=CC1[CH]NCCN2CCOCC2

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.88 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 323.431 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.681; 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 · 24708007