Molecule card · MolClass #46557
7966673
7966673: 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
- 7966673Mitochondrial Fusion · compound_name
- MolClass ID
- 46557
- InChIKey
- JMHFCSDYGXDBMP-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OC(=O)c3cnn(CC(=O)N1CCN(CC1)c2ccccn2)c3c5(c4)
- Standard InChI
- InChI=1S/C22H21N5O3/c1-15-5-6-18-16(12-15)21-17(22(29)30-18)13-24-27(21)14-20(28)26-10-8-25(9-11-26)19-4-2-3-7-23-19/h2-7,12-13H,8-11,14H2,1H3
- Stored Murcko scaffold
- n1ccccc1N2CCN([CH]Cn3ncc4[CH]Oc5ccccc5-c43)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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.265
- 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 · 7966673