Molecule card · MolClass #36217
24809666
24809666: 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
- 24809666Mitochondrial Fusion · compound_name
- MolClass ID
- 36217
- InChIKey
- PFOAIMHDKWUDIQ-UHFFFAOYSA-N
- Canonical SMILES
- C=CCC2C=C(Cc1ccccc1)CC(CC=C)N2
- Standard InChI
- InChI=1S/C18H23N/c1-3-8-17-13-16(14-18(19-17)9-4-2)12-15-10-6-5-7-11-15/h3-7,10-11,13,17-19H,1-2,8-9,12,14H2
- Stored Murcko scaffold
- c1ccc(cc1)CC2=CCNCC2
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.
- 22405070#28500
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.071
- 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 · 24809666