Molecule card · MolClass #51833
14725767
14725767: 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
- 14725767Mitochondrial Fusion · compound_name
- MolClass ID
- 51833
- InChIKey
- DMYSGPNXOWSMGP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(c3nnnn3(CCc2ccccc2))N4CCC(C)CC4
- Standard InChI
- InChI=1S/C23H29N5/c1-18-8-10-21(11-9-18)22(27-15-12-19(2)13-16-27)23-24-25-26-28(23)17-14-20-6-4-3-5-7-20/h3-11,19,22H,12-17H2,1-2H3
- Stored Murcko scaffold
- n1nc(n(n1)CCc2ccccc2)C(c3ccccc3)N4CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.511 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.223
- 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 · 14725767