Molecule card · MolClass #43799
14740493
14740493: 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
- 14740493Mitochondrial Fusion · compound_name
- MolClass ID
- 43799
- InChIKey
- RVBVWVSLJMZNRO-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(C)CN(C1)C3=CC(=O)N(Cc2ccc(F)cc2)C(=O)N3
- Standard InChI
- InChI=1S/C18H22FN3O2/c1-12-7-13(2)10-21(9-12)16-8-17(23)22(18(24)20-16)11-14-3-5-15(19)6-4-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,24)
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]C=C(N[CH]2)N3CCCCC3
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.
- 7970028#48172
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.417
- 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 · 14740493