Molecule card · MolClass #49275
24813857
24813857: 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
- 24813857Mitochondrial Fusion · compound_name
- MolClass ID
- 49275
- InChIKey
- BGGROKMTIRYLKN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)N4CCN(CCCNC(=O)Cn3cccc3(C(=O)c2ccccc2(C)))CC4
- Standard InChI
- InChI=1S/C29H36N4O2/c1-22-11-12-24(3)27(20-22)32-18-16-31(17-19-32)14-7-13-30-28(34)21-33-15-6-10-26(33)29(35)25-9-5-4-8-23(25)2/h4-6,8-12,15,20H,7,13-14,16-19,21H2,1-3H3,(H,30,34)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2cccn2C[CH]NCCCN3CCN(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
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 472.623 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.104
- 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 · 24813857