Molecule card · MolClass #47236
7978032
7978032: 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
- 7978032Mitochondrial Fusion · compound_name
- MolClass ID
- 47236
- InChIKey
- JMMKNFSLHJYTGJ-UHFFFAOYSA-N
- Canonical SMILES
- NC=2C(=O)Oc1ccccc1C=2N3CCN(CC3)c4ccccc4
- Standard InChI
- InChI=1S/C19H19N3O2/c20-17-18(15-8-4-5-9-16(15)24-19(17)23)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13,20H2
- Stored Murcko scaffold
- O1[CH]C=C(c2ccccc12)N3CCN(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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.296
- 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 · 7978032