Molecule card · MolClass #49554
24793941
24793941: 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
- 24793941Mitochondrial Fusion · compound_name
- MolClass ID
- 49554
- InChIKey
- ZMHIBBAZRKTBAY-UHFFFAOYSA-N
- Canonical SMILES
- Cc5cccc(OCC(O)CN1CCN(CC1)CCN2C(=O)c4cccc3cccc(C2(=O))c34)c5(C)
- Standard InChI
- InChI=1S/C29H33N3O4/c1-20-6-3-11-26(21(20)2)36-19-23(33)18-31-14-12-30(13-15-31)16-17-32-28(34)24-9-4-7-22-8-5-10-25(27(22)24)29(32)35/h3-11,23,33H,12-19H2,1-2H3
- Stored Murcko scaffold
- O(c1ccccc1)CCCN2CCN(CCN3[CH]c4cccc5cccc([CH]3)c54)CC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 487.591 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.614
- 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 · 24793941