Molecule card · MolClass #45155
24807814
24807814: 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
- 24807814Mitochondrial Fusion · compound_name
- MolClass ID
- 45155
- InChIKey
- RWMRMHCJOHRTBF-LPYMAVHISA-N
- Canonical SMILES
- Cc1ccc(cc1)C=NN3C(=O)CN(C(C)C)C3(c2ccc(C)cc2)
- Standard InChI
- InChI=1S/C21H25N3O/c1-15(2)23-14-20(25)24(21(23)19-11-7-17(4)8-12-19)22-13-18-9-5-16(3)6-10-18/h5-13,15,21H,14H2,1-4H3/b22-13+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N2[CH]CNC2c3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.193
- 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 · 24807814