Molecule card · MolClass #38470
3714147
3714147: 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
- 3714147Mitochondrial Fusion · compound_name
- MolClass ID
- 38470
- InChIKey
- DTMRQGCZWXKNGQ-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CNC(=O)C=C(C1)c2ccccc2)
- Standard InChI
- InChI=1S/C14H17NO/c1-14(2)9-12(8-13(16)15-10-14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,15,16)
- Stored Murcko scaffold
- c1ccc(cc1)C2=C[CH]NCCC2
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
- 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
- 29.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 215.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.55
- 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 · 3714147