Molecule card · MolClass #40218

24829878

24829878: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 24829878Mitochondrial Fusion · compound_name
MolClass ID: 40218
InChIKey: MLVLFVFPGAZSLO-UHFFFAOYSA-N
Canonical SMILES: CNC(=O)CN3C(=O)NC1(CCc2ccccc2(C1))C3(=O)
Standard InChI: InChI=1S/C15H17N3O3/c1-16-12(19)9-18-13(20)15(17-14(18)21)7-6-10-4-2-3-5-11(10)8-15/h2-5H,6-9H2,1H3,(H,16,19)(H,17,21)
Stored Murcko scaffold: [N]1[CH]NC2([CH]1)Cc3ccccc3CC2

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.

24837449#41457
24824927#45258
24825188#47123

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 78.51 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 287.314 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.287; 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 · 24829878