Molecule card · MolClass #47940

24817124

24817124: 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: 24817124Mitochondrial Fusion · compound_name
MolClass ID: 47940
InChIKey: YTPXIUGCHGEXFX-UHFFFAOYSA-N
Canonical SMILES: NC(=O)N1CCC2(CC1)(NC(=O)N(N2)c3ccccc3)
Standard InChI: InChI=1S/C13H17N5O2/c14-11(19)17-8-6-13(7-9-17)15-12(20)18(16-13)10-4-2-1-3-5-10/h1-5,16H,6-9H2,(H2,14,19)(H,15,20)
Stored Murcko scaffold: [N]1CCC2(N[CH]N(N2)c3ccccc3)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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 90.7 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 275.307 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.672; 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 · 24817124