Molecule card · MolClass #41979
7974602
7974602: 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
- 7974602Mitochondrial Fusion · compound_name
- MolClass ID
- 41979
- InChIKey
- QNPPOHQNSDTRLK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N2C(=O)CC(C2(=O))N3CCN(CC3)C4CCc5ccccc5(C4)
- Standard InChI
- InChI=1S/C25H29N3O2/c1-18-6-9-21(10-7-18)28-24(29)17-23(25(28)30)27-14-12-26(13-15-27)22-11-8-19-4-2-3-5-20(19)16-22/h2-7,9-10,22-23H,8,11-17H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]CC([CH]2)N3CCN(CC3)C4Cc5ccccc5CC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.518 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.725
- 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 · 7974602