Molecule card · MolClass #47201

24783457

24783457: 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: 24783457Mitochondrial Fusion · compound_name
MolClass ID: 47201
InChIKey: NLBPMILMRQHRGY-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)C(=O)NN2C(=O)C3C5C=CC(C3(C2(=O)))C45(CC4)
Standard InChI: InChI=1S/C19H18N2O3/c1-10-2-4-11(5-3-10)16(22)20-21-17(23)14-12-6-7-13(15(14)18(21)24)19(12)8-9-19/h2-7,12-15H,8-9H2,1H3,(H,20,22)
Stored Murcko scaffold: c1ccc(cc1)[CH]NN2[CH]C3C([CH]2)C4C=CC3C54CC5

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 322.359 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.555; 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 · 24783457