Molecule card · MolClass #42629
7967065
7967065: 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
- 7967065Mitochondrial Fusion · compound_name
- MolClass ID
- 42629
- InChIKey
- KHPWGHHPJJHDBL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(c(N)c1c2ccccc2)C(=O)c3ccoc3(C)
- Standard InChI
- InChI=1S/C16H15N3O2/c1-10-14(12-6-4-3-5-7-12)15(17)19(18-10)16(20)13-8-9-21-11(13)2/h3-9H,17H2,1-2H3
- Stored Murcko scaffold
- n1cc(cn1[CH]c2cocc2)-c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.06
- 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 · 7967065