Molecule card · MolClass #38714
14724461
14724461: 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
- 14724461Mitochondrial Fusion · compound_name
- MolClass ID
- 38714
- InChIKey
- HAMXCUKRWMKKRS-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(=O)C5=C(C1)c3c(ccc2ccccc23)NC5(c4ccco4))
- Standard InChI
- InChI=1S/C23H21NO2/c1-23(2)12-16-20-15-7-4-3-6-14(15)9-10-17(20)24-22(19-8-5-11-26-19)21(16)18(25)13-23/h3-11,22,24H,12-13H2,1-2H3
- Stored Murcko scaffold
- o1cccc1C2Nc3ccc4ccccc4c3C5=C2[CH]CCC5
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.312
- 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 · 14724461