Molecule card · MolClass #48364
24708133
24708133: 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
- 24708133Mitochondrial Fusion · compound_name
- MolClass ID
- 48364
- InChIKey
- YQXKVAFUDBNPQI-GJZGRUSLSA-N
- Canonical SMILES
- NC(Cc1ccc(O)cc1)c2nnc(o2)C(CO)NC(=O)C3CCNCC3
- Standard InChI
- InChI=1S/C18H25N5O4/c19-14(9-11-1-3-13(25)4-2-11)17-22-23-18(27-17)15(10-24)21-16(26)12-5-7-20-8-6-12/h1-4,12,14-15,20,24-25H,5-10,19H2,(H,21,26)/t14-,15-/m0/s1
- Stored Murcko scaffold
- n1nc(oc1CN[CH]C2CCNCC2)CCc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 5
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 146.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.258
- 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 · 24708133