Molecule card · MolClass #52164
4247011
4247011: 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
- 4247011Mitochondrial Fusion · compound_name
- MolClass ID
- 52164
- InChIKey
- ZZBPDCYKAHMBHV-UHFFFAOYSA-N
- Canonical SMILES
- NC(N)=C2C(=O)N(C1CCCCC1)C(=O)N(C2(=O))C3CCCCC3
- Standard InChI
- InChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-12H,1-10,18-19H2
- Stored Murcko scaffold
- [CH]1[CH]N([CH]N([CH]1)C2CCCCC2)C3CCCCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.578
- 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 · 4247011