Molecule card · MolClass #40281
24824013
24824013: 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
- 24824013Mitochondrial Fusion · compound_name
- MolClass ID
- 40281
- InChIKey
- Not recorded
- Canonical SMILES
- CC1=NCCc2c3ccccc3([nH]c12)
- Standard InChI
- null
- Stored Murcko scaffold
- N1=Cc2[nH]c3ccccc3c2CC1
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.
- Harmaline hydrochloride dihydrate#1440
- Harmalol hydrochloride dihydrate#1441
- Methoxy-6-harmalan#1475
- 6027-98-1#5546
- 6027-98-1#8676
- 6028-07-5#9036
- 56463121#26567
- 11533026#36489
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 28.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 184.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.347
- 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 · 24824013