Molecule card · MolClass #51586
14735203
14735203: 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
- 14735203Mitochondrial Fusion · compound_name
- MolClass ID
- 51586
- InChIKey
- YVMBTVQJWUCNGC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Cc1cc(no1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4
- Standard InChI
- InChI=1S/C25H29N3O2/c1-19(2)17-22-18-23(26-30-22)25(29)28-15-13-27(14-16-28)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,24H,13-17H2,1-2H3
- Stored Murcko scaffold
- n1occc1[CH]N2CCN(CC2)C(c3ccccc3)c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.518 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.703
- 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 · 14735203