Molecule card · MolClass #48635
24823940
24823940: 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
- 24823940Mitochondrial Fusion · compound_name
- MolClass ID
- 48635
- InChIKey
- AISQFGWPSVARMU-WIOPSUGQSA-N
- Canonical SMILES
- O=C(NCCCC2CN3C(CN=C3(N2(CCc1ccc(c(c1)Cl)Cl)))C4CCCCC4)C5CCC5
- Standard InChI
- InChI=1S/C27H38Cl2N4O/c28-23-12-11-19(16-24(23)29)13-15-32-22(10-5-14-30-26(34)21-8-4-9-21)18-33-25(17-31-27(32)33)20-6-2-1-3-7-20/h11-12,16,20-22,25H,1-10,13-15,17-18H2,(H,30,34)/t22-,25+/m0/s1
- Stored Murcko scaffold
- N1=C2N(CCc3ccccc3)C(CN2C(C1)C4CCCCC4)CCCN[CH]C5CCC5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 505.524 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.65
- 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 · 24823940