Molecule card · MolClass #51748
14729602
14729602: 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
- 14729602Mitochondrial Fusion · compound_name
- MolClass ID
- 51748
- InChIKey
- RAUJJXCXNJNUSF-UHFFFAOYSA-N
- Canonical SMILES
- OCCNC3=NC=4c5ccccc5(CC1(CCCC1)C=4(C(=O)N3(CC2CCCCC2)))
- Standard InChI
- InChI=1S/C25H33N3O2/c29-15-14-26-24-27-22-20-11-5-4-10-19(20)16-25(12-6-7-13-25)21(22)23(30)28(24)17-18-8-2-1-3-9-18/h4-5,10-11,18,29H,1-3,6-9,12-17H2,(H,26,27)
- Stored Murcko scaffold
- N1=CN([CH]C2=C1c3ccccc3CC24CCCC4)CC5CCCCC5
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 407.549 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.092
- 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 · 14729602