Molecule card · MolClass #48625
7967519
7967519: 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
- 7967519Mitochondrial Fusion · compound_name
- MolClass ID
- 48625
- InChIKey
- MTLXDOWVXJDSMA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCC1COc2ccccc2(O1))C3CCC(CC3)CNC=4C(=O)C(=O)C=4N5CCCCC5
- Standard InChI
- InChI=1S/C26H33N3O5/c30-24-22(23(25(24)31)29-12-4-1-5-13-29)27-14-17-8-10-18(11-9-17)26(32)28-15-19-16-33-20-6-2-3-7-21(20)34-19/h2-3,6-7,17-19,27H,1,4-5,8-16H2,(H,28,32)
- Stored Murcko scaffold
- O1c2ccccc2OC(C1)CN[CH]C3CCC(CNC=4[CH][CH]C4N5CCCCC5)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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 467.558 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.273
- 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 · 7967519