Molecule card · MolClass #51591
14735436
14735436: 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
- 14735436Mitochondrial Fusion · compound_name
- MolClass ID
- 51591
- InChIKey
- AQIYGSAXYBBKKP-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cc(C)c(Cc1c(C)nc2c(cnn2(c1(C)))C(=O)NCc3ccco3)c(C)c4
- Standard InChI
- InChI=1S/C24H26N4O2/c1-14-9-15(2)20(16(3)10-14)11-21-17(4)27-23-22(13-26-28(23)18(21)5)24(29)25-12-19-7-6-8-30-19/h6-10,13H,11-12H2,1-5H3,(H,25,29)
- Stored Murcko scaffold
- n1cc(cn2ncc([CH]NCc3occc3)c12)Cc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.965
- 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 · 14735436