Molecule card · MolClass #40293
24781300
24781300: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24781300Mitochondrial Fusion · compound_name
- MolClass ID
- 40293
- InChIKey
- DTQGZOHDRCMNGQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c2onc(C(=O)N(C)C1CCCCC1)c2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H21N3O4/c1-9(2)13-12(17(19)20)11(15-21-13)14(18)16(3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
- Stored Murcko scaffold
- n1occc1[CH][N]C2CCCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.036
- 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 · 24781300