Molecule card · MolClass #43003
24798537
24798537: 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
- 24798537Mitochondrial Fusion · compound_name
- MolClass ID
- 43003
- InChIKey
- IFBAAMXVWXZQIY-UHFFFAOYSA-N
- Canonical SMILES
- CCn3ccnc3(CNC(=O)CC2C(=O)NCCN2(Cc1ccccc1(F)))
- Standard InChI
- InChI=1S/C19H24FN5O2/c1-2-24-9-7-21-17(24)12-23-18(26)11-16-19(27)22-8-10-25(16)13-14-5-3-4-6-15(14)20/h3-7,9,16H,2,8,10-13H2,1H3,(H,22,27)(H,23,26)
- Stored Murcko scaffold
- n1cc[nH]c1CN[CH]CC2[CH]NCCN2Cc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.716
- 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 · 24798537