Molecule card · MolClass #41840
24786264
24786264: 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
- 24786264Mitochondrial Fusion · compound_name
- MolClass ID
- 41840
- InChIKey
- KTPVPPLBGHJKKJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nonc3(CN(C)C(=O)CC2C(=O)NCCN2(Cc1ccc(F)c(F)c1))
- Standard InChI
- InChI=1S/C18H21F2N5O3/c1-11-15(23-28-22-11)10-24(2)17(26)8-16-18(27)21-5-6-25(16)9-12-3-4-13(19)14(20)7-12/h3-4,7,16H,5-6,8-10H2,1-2H3,(H,21,27)
- Stored Murcko scaffold
- n1onc(c1)C[N][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.
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.46
- 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 · 24786264