Molecule card · MolClass #43415
17412948
17412948: 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
- 17412948Mitochondrial Fusion · compound_name
- MolClass ID
- 43415
- InChIKey
- FKHABTCSCRGVTR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)C4CC(=O)n3c(nc2ccccc23)N4
- Standard InChI
- InChI=1S/C18H16N4O2/c1-11-6-8-12(9-7-11)19-17(24)14-10-16(23)22-15-5-3-2-4-13(15)20-18(22)21-14/h2-9,14H,10H2,1H3,(H,19,24)(H,20,21)
- Stored Murcko scaffold
- n1c2ccccc2n3[CH]CC([CH]Nc4ccccc4)Nc13
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.49
- 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 · 17412948