Molecule card · MolClass #43694
24831335
24831335: 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
- 24831335Mitochondrial Fusion · compound_name
- MolClass ID
- 43694
- InChIKey
- ZYZBQHFKIGYZKL-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2c5c6CC(=O)N(C1CC1)c6(nc(N)c5(c(N)nc2N3CCN(CC3)c4ccc(F)cc4))
- Standard InChI
- InChI=1S/C24H23FN8O/c25-13-1-3-14(4-2-13)31-7-9-32(10-8-31)23-17(12-26)19-16-11-18(34)33(15-5-6-15)24(16)30-22(28)20(19)21(27)29-23/h1-4,15H,5-11H2,(H2,27,29)(H2,28,30)
- Stored Murcko scaffold
- n1cc2cnc3c(c2cc1N4CCN(c5ccccc5)CC4)C[CH]N3C6CC6
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
- 9
- 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
- 128.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 458.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.652
- 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 · 24831335