Molecule card · MolClass #51323
16953543
16953543: 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
- 16953543Mitochondrial Fusion · compound_name
- MolClass ID
- 51323
- InChIKey
- MXOVZBHKCPBCHH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)C(c3ccccc3)c4ccccc4
- Standard InChI
- InChI=1S/C27H36N4O2/c1-21(26(32)29-27(33)28-24-15-9-4-10-16-24)30-17-19-31(20-18-30)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24-25H,4,9-10,15-20H2,1H3,(H2,28,29,32,33)
- Stored Murcko scaffold
- c1ccc(cc1)C(c2ccccc2)N3CCN(C[CH]N[CH]NC4CCCCC4)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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 448.601 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.036
- 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 · 16953543