Molecule card · MolClass #37623
24797851
24797851: 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
- 24797851Mitochondrial Fusion · compound_name
- MolClass ID
- 37623
- InChIKey
- DKTLINJHZYTANH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN3CCN(Cc2cccc1cccnc12)CC3(CCO)
- Standard InChI
- InChI=1S/C20H29N3O/c1-16(2)13-23-11-10-22(15-19(23)8-12-24)14-18-6-3-5-17-7-4-9-21-20(17)18/h3-7,9,16,19,24H,8,10-15H2,1-2H3
- Stored Murcko scaffold
- n1cccc2cccc(c12)CN3CCNCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.283
- 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 · 24797851