Molecule card · MolClass #38377
24780748
24780748: 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
- 24780748Mitochondrial Fusion · compound_name
- MolClass ID
- 38377
- InChIKey
- COGLNCPMMMACHM-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)NC(=O)C(=O)N3N=C2CCCCC2C3(O)C(F)(F)F
- Standard InChI
- InChI=1S/C17H18F3N3O4/c1-27-11-8-6-10(7-9-11)21-14(24)15(25)23-16(26,17(18,19)20)12-4-2-3-5-13(12)22-23/h6-9,12,26H,2-5H2,1H3,(H,21,24)
- Stored Murcko scaffold
- N1=C2CCCCC2CN1[CH][CH]Nc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.009
- 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 · 24780748