Molecule card · MolClass #46091
24830648
24830648: 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
- 24830648Mitochondrial Fusion · compound_name
- MolClass ID
- 46091
- InChIKey
- VVPSKCSMQYZZOJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc5cc(C(=O)CN2C(=O)C(=O)N(Cc1ccccc1)C2(=O))c(C)n5(CC3COc4ccccc4(O3))
- Standard InChI
- InChI=1S/C27H25N3O6/c1-17-12-21(18(2)28(17)14-20-16-35-23-10-6-7-11-24(23)36-20)22(31)15-30-26(33)25(32)29(27(30)34)13-19-8-4-3-5-9-19/h3-12,20H,13-16H2,1-2H3
- Stored Murcko scaffold
- O1c2ccccc2OC(C1)Cn3ccc(c3)[CH]CN4[CH][CH]N([CH]4)Cc5ccccc5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 487.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.609
- 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 · 24830648