Molecule card · MolClass #48392
24799951
24799951: 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
- 24799951Mitochondrial Fusion · compound_name
- MolClass ID
- 48392
- InChIKey
- MWLVSUWQQMVRQX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cnc(C)c(n1)N2CCN(CC2)Cc3nc(oc3(C))c4ccc(C)o4
- Standard InChI
- InChI=1S/C20H25N5O2/c1-13-11-21-15(3)19(22-13)25-9-7-24(8-10-25)12-17-16(4)27-20(23-17)18-6-5-14(2)26-18/h5-6,11H,7-10,12H2,1-4H3
- Stored Murcko scaffold
- n1ccnc(c1)N2CCN(Cc3nc(oc3)-c4occc4)CC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.837
- 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 · 24799951