Molecule card · MolClass #47107
24785098
24785098: 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
- 24785098Mitochondrial Fusion · compound_name
- MolClass ID
- 47107
- InChIKey
- QKWNEIAHHAOTRD-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CC(CC1(=O))CN(C)Cc3nc(Cc2ccccc2)no3
- Standard InChI
- InChI=1S/C18H24N4O2/c1-3-22-12-15(10-18(22)23)11-21(2)13-17-19-16(20-24-17)9-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CNCC3C[N][CH]C3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.644
- 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 · 24785098