Molecule card · MolClass #51607
14734196
14734196: 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
- 14734196Mitochondrial Fusion · compound_name
- MolClass ID
- 51607
- InChIKey
- UFSCBEIKKIAHNC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N4CCN(CCNC(=O)Cn3cccc3(C(=O)c2ccccc2(C)))CC4
- Standard InChI
- InChI=1S/C28H34N4O2/c1-21-9-6-11-25(23(21)3)31-18-16-30(17-19-31)15-13-29-27(33)20-32-14-7-12-26(32)28(34)24-10-5-4-8-22(24)2/h4-12,14H,13,15-20H2,1-3H3,(H,29,33)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2cccn2C[CH]NCCN3CCN(c4ccccc4)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 458.596 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.746
- 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 · 14734196