Molecule card · MolClass #37339
24816631
24816631: 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
- 24816631Mitochondrial Fusion · compound_name
- MolClass ID
- 37339
- InChIKey
- SRKDHJGZAHLCKS-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N3C(=O)CC(Nc2cccc1cccc(N)c12)C3(=O)
- Standard InChI
- InChI=1S/C17H19N3O2/c1-10(2)20-15(21)9-14(17(20)22)19-13-8-4-6-11-5-3-7-12(18)16(11)13/h3-8,10,14,19H,9,18H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]CC([CH]1)Nc2cccc3ccccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.336
- 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 · 24816631