Molecule card · MolClass #45216
857234
857234: 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
- 857234Mitochondrial Fusion · compound_name
- MolClass ID
- 45216
- InChIKey
- FLXMJEBISROPJA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N2CC3=C(C2(=O))C(NC(=O)N3(C))c4ccccc4
- Standard InChI
- InChI=1S/C20H19N3O2/c1-13-7-6-10-15(11-13)23-12-16-17(19(23)24)18(21-20(25)22(16)2)14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3,(H,21,25)
- Stored Murcko scaffold
- [N]1[CH]NC(c2ccccc2)C=3[CH]N(c4ccccc4)CC13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.168
- 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 · 857234