Molecule card · MolClass #45615
7977475
7977475: 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
- 7977475Mitochondrial Fusion · compound_name
- MolClass ID
- 45615
- InChIKey
- LWONPDBXRUFQNA-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(CC1)NCCN2CCn3c4ccccc4(nc23)
- Standard InChI
- InChI=1S/C17H24N4/c1-2-6-14(7-3-1)18-10-11-20-12-13-21-16-9-5-4-8-15(16)19-17(20)21/h4-5,8-9,14,18H,1-3,6-7,10-13H2
- Stored Murcko scaffold
- n1c2ccccc2n3c1N(CCNC4CCCCC4)CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.674
- 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 · 7977475