Molecule card · MolClass #43544
7968425
7968425: 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
- 7968425Mitochondrial Fusion · compound_name
- MolClass ID
- 43544
- InChIKey
- GKMXWTJHUDLKQM-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OC(=O)c3cnn(CC(=O)NC1CCN(CC1)Cc2ccccc2)c3c5(c4)
- Standard InChI
- InChI=1S/C25H26N4O3/c1-17-7-8-22-20(13-17)24-21(25(31)32-22)14-26-29(24)16-23(30)27-19-9-11-28(12-10-19)15-18-5-3-2-4-6-18/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,27,30)
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2n1C[CH]NC4CCN(Cc5ccccc5)CC4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.5 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.822
- 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 · 7968425