Molecule card · MolClass #49025

24827494

24827494: 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: 24827494Mitochondrial Fusion · compound_name
MolClass ID: 49025
InChIKey: RSGDDSXMTCZCNG-UHFFFAOYSA-N
Canonical SMILES: NCCOc1ccc(cc1)C34(CC2CC(CC(C2)C3)C4)
Standard InChI: InChI=1S/C18H25NO/c19-5-6-20-17-3-1-16(2-4-17)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15H,5-12,19H2
Stored Murcko scaffold: c1ccc(cc1)C23CC4CC(CC(C4)C2)C3

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.

1244471#13035
1537846#13040
47202232#34472
24802670#49449
24780962#49808
22415508#49846
22403230#50219

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.25 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 271.398 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.189; 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 · 24827494