Molecule card · MolClass #38429
24795029
24795029: 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
- 24795029Mitochondrial Fusion · compound_name
- MolClass ID
- 38429
- InChIKey
- GISBIQZJHKMYAB-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)c2c(ncn2(CCCC(=N)N1CCOCC1))N(C)C3(=O)
- Standard InChI
- InChI=1S/C15H22N6O3/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)5-3-4-11(16)20-6-8-24-9-7-20/h10,16H,3-9H2,1-2H3
- Stored Murcko scaffold
- n1cnc2ncn(c2c1)CCC[CH]N3CCOCC3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.486
- 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 · 24795029