Molecule card · MolClass #35779
857929
857929: 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
- 857929Mitochondrial Fusion · compound_name
- MolClass ID
- 35779
- InChIKey
- ICTARJCLYMROAP-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)C12(CC(=NCCN2(CCN1))c3ccccc3)
- Standard InChI
- InChI=1S/C14H16F3N3/c15-14(16,17)13-10-12(11-4-2-1-3-5-11)18-6-8-20(13)9-7-19-13/h1-5,19H,6-10H2
- Stored Murcko scaffold
- N1=C(c2ccccc2)CC3NCCN3CC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.577
- 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 · 857929