Molecule card · MolClass #43235
7973848
7973848: 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
- 7973848Mitochondrial Fusion · compound_name
- MolClass ID
- 43235
- InChIKey
- VMTOLTXHEHDERM-UHFFFAOYSA-N
- Canonical SMILES
- O=C5C1CC=C(CC1C(=O)N5(CN(Cc2ccco2)CN4C(=O)C3CC=C(CC3C4(=O))Cl))Cl
- Standard InChI
- InChI=1S/C23H23Cl2N3O5/c24-13-3-5-16-18(8-13)22(31)27(20(16)29)11-26(10-15-2-1-7-33-15)12-28-21(30)17-6-4-14(25)9-19(17)23(28)32/h1-4,7,16-19H,5-6,8-12H2
- Stored Murcko scaffold
- o1cccc1CN(CN2[CH]C3CC=CCC3[CH]2)CN4[CH]C5CC=CCC5[CH]4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 492.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.054
- 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 · 7973848