Molecule card · MolClass #51846
14725031
14725031: 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
- 14725031Mitochondrial Fusion · compound_name
- MolClass ID
- 51846
- InChIKey
- MMOBBISAVIKZPP-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Cn6c(CNc4nc2ccccc2n4(CCN3CCCCC3))nc5ccccc56
- Standard InChI
- InChI=1S/C29H32N6/c1-3-11-23(12-4-1)22-35-27-16-8-5-13-24(27)31-28(35)21-30-29-32-25-14-6-7-15-26(25)34(29)20-19-33-17-9-2-10-18-33/h1,3-8,11-16H,2,9-10,17-22H2,(H,30,32)
- Stored Murcko scaffold
- n1c2ccccc2n(c1NCc3nc4ccccc4n3Cc5ccccc5)CCN6CCCCC6
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 464.606 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.505
- 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 · 14725031