Molecule card · MolClass #45165
24782101
24782101: 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
- 24782101Mitochondrial Fusion · compound_name
- MolClass ID
- 45165
- InChIKey
- DYYFWURTUVFFPN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N(Cc1cnn(C)c1)Cc3nc(COc2ccccc2)no3
- Standard InChI
- InChI=1S/C18H23N5O2/c1-14(2)23(11-15-9-19-22(3)10-15)12-18-20-17(21-25-18)13-24-16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3
- Stored Murcko scaffold
- n1oc(nc1COc2ccccc2)CNCc3cn[nH]c3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.72
- 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 · 24782101