Molecule card · MolClass #39771
24799338
24799338: 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
- 24799338Mitochondrial Fusion · compound_name
- MolClass ID
- 39771
- InChIKey
- KJNHCKXDSHLSKW-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(CNC(=O)CC1C(=O)NCCN1(CC(C)(C)C))nn2(C)
- Standard InChI
- InChI=1S/C17H29N5O2/c1-12-8-13(20-21(12)5)10-19-15(23)9-14-16(24)18-6-7-22(14)11-17(2,3)4/h8,14H,6-7,9-11H2,1-5H3,(H,18,24)(H,19,23)
- Stored Murcko scaffold
- n1[nH]ccc1CN[CH]CC2[CH]NCCN2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.445 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.407
- 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 · 24799338