Molecule card · MolClass #41439
4262753
4262753: 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
- 4262753Mitochondrial Fusion · compound_name
- MolClass ID
- 41439
- InChIKey
- YLWPDUYFJPUFOK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)C(C)N2C(=O)C3CC=C(CC3(C2(=O)))Cl
- Standard InChI
- InChI=1S/C18H19ClN2O3/c1-10-3-6-13(7-4-10)20-16(22)11(2)21-17(23)14-8-5-12(19)9-15(14)18(21)24/h3-7,11,14-15H,8-9H2,1-2H3,(H,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CN2[CH]C3CC=CCC3[CH]2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.809 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.566
- 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 · 4262753