Molecule card · MolClass #44786
24786291
24786291: 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
- 24786291Mitochondrial Fusion · compound_name
- MolClass ID
- 44786
- InChIKey
- DNMUSEQROJDQDA-YRNVUSSQSA-N
- Canonical SMILES
- Cc1ccccc1n4cc(CNC(=O)CC3C(=O)NCCN3(CC=Cc2ccccc2))cn4
- Standard InChI
- InChI=1S/C26H29N5O2/c1-20-8-5-6-12-23(20)31-19-22(18-29-31)17-28-25(32)16-24-26(33)27-13-15-30(24)14-7-11-21-9-3-2-4-10-21/h2-12,18-19,24H,13-17H2,1H3,(H,27,33)(H,28,32)/b11-7+
- Stored Murcko scaffold
- n1cc(cn1-c2ccccc2)CN[CH]CC3[CH]NCCN3CC=Cc4ccccc4
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 443.542 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.802
- 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 · 24786291