Molecule card · MolClass #40193
24841731
24841731: 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
- 24841731Mitochondrial Fusion · compound_name
- MolClass ID
- 40193
- InChIKey
- ZWCLSVMAQIHQDS-IZZNHLLZSA-N
- Canonical SMILES
- CN(CC(c1ccccc1)N(CC(Cc2ccccc2)N(CCc3ccccc3)N=O)N=O)N=O
- Standard InChI
- InChI=1S/C26H30N6O3/c1-30(27-33)21-26(24-15-9-4-10-16-24)32(29-35)20-25(19-23-13-7-3-8-14-23)31(28-34)18-17-22-11-5-2-6-12-22/h2-16,25-26H,17-21H2,1H3/t25-,26+/m0/s1
- Stored Murcko scaffold
- c1ccc(cc1)CNCC(NCCc2ccccc2)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 15
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 474.556 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.341
- 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 · 24841731