Molecule card · MolClass #36615

17432215

17432215: 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: 17432215Mitochondrial Fusion · compound_name
MolClass ID: 36615
InChIKey: SLVGXKOGRVSWMD-UHFFFAOYSA-N
Canonical SMILES: N=C(CC1CC(=O)NC(=O)C1)C=2C(=O)CCCC=2(O)
Standard InChI: InChI=1S/C13H16N2O4/c14-8(13-9(16)2-1-3-10(13)17)4-7-5-11(18)15-12(19)6-7/h7,14,16H,1-6H2,(H,15,18,19)
Stored Murcko scaffold: [CH]1N[CH]CC(C1)C[CH]C=2[CH]CCCC2

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: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 107.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 264.278 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.736; 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 · 17432215